1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane

C66H133F3O — CID 167683451

IUPAC1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane
SMILESC#CCC(C)C.C=CCC(C)C.CC(C)C(C)C(F)(F)F.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.COCCC(C)C
InChIInChI=1S/C10H20.C9H18.C8H16.C8H18.C7H14.C6H11F3.C6H14O.C6H12.C6H10/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7-3-4-7;1-4(2)5(3)6(7,8)9;1-6(2)4-5-7-3;2*1-4-5-6(2)3/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3
InChIKeyVWICGMFIBAEADQ-UHFFFAOYSA-N
MW999.78 g/mol
LogP23.59
Rot. Bonds16

About 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane

1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane (PubChem CID 167683451) has the molecular formula C66H133F3O and a molecular weight of 999.78 g/mol. Its IUPAC name is 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane.

Molecular Properties

Compound Name1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane
PubChem CID167683451
Molecular FormulaC66H133F3O
Molecular Weight999.78 g/mol
Exact Mass999.03
IUPAC Name1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane
SMILESC#CCC(C)C.C=CCC(C)C.CC(C)C(C)C(F)(F)F.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.COCCC(C)C
InChIInChI=1S/C10H20.C9H18.C8H16.C8H18.C7H14.C6H11F3.C6H14O.C6H12.C6H10/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7-3-4-7;1-4(2)5(3)6(7,8)9;1-6(2)4-5-7-3;2*1-4-5-6(2)3/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3
InChIKeyVWICGMFIBAEADQ-UHFFFAOYSA-N
XLogP23.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.78
LogP ≤ 523.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
2-cyclopropyl-1,1-dimethylcyclopropane;3,3-difluoro-2-methylpentane;2,3-dimethylbutane;4,4-dimethylheptane;2,5-dimethylhexane;3,3-dimethylhexane;2,2-dimethylpentane;2,3-dimethylpentane;2,4-dimethylpentane;2-ethenyl-1,1-dimethylcyclopropane;2-ethyl-1,1-dimethylcyclopropane;1-methoxy-3-methylbutane;1-methoxy-2-methylpropane;2-methylbutane;2-methylheptane;6-methylhept-1-ene;bis(2-methylhexane);5-methylhex-1-ene;bis(2-methylpentane);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylcyclopropane;1,1,1-trifluoro-2-methylpropane;1,1,2-trimethylcyclopropane
CID 158650941
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
4-(2-methoxyethyl)hept-1-en-6-yne
CID 71392593
3,3-bis(methoxymethyl)-2,5-dimethylhexane;2,4-dimethoxybutylcyclohexane
CID 175406596
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
2,2-difluoro-4-methylpentane;methane;1-methyl-1-(2-methylpropyl)cyclohexane;2-methylpropylcyclohexane;2-methylpropylcyclopropane;2,2,4-trimethylpentane
CID 159961447
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687
2,2-dimethylbutane;(Z)-6-methylhept-3-ene;(E)-6-methylhept-3-ene;6-methylhept-3-yne;4-methylpent-1-ene;4-methylpent-1-yne
CID 157395151
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane?
The IUPAC name of 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane (CID 167683451) is 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane.
What is the SMILES notation for 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane?
The canonical SMILES for 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane is C#CCC(C)C.C=CCC(C)C.CC(C)C(C)C(F)(F)F.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CC1CCC1.CC(C)CC1CCCC1.CC(C)CC1CCCCC1.COCCC(C)C.
What is the InChIKey of 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane?
The InChIKey is VWICGMFIBAEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H18.C8H16.C8H18.C7H14.C6H11F3.C6H14O.C6H12.C6H10/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-5-3-4-6-9;1-7(2)6-8-4-3-5-8;1-7(2)6-8(3,4)5;1-6(2)5-7-3-4-7;1-4(2)5(3)6(7,8)9;1-6(2)4-5-7-3;2*1-4-5-6(2)3/h9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,6H2,1-5H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;6H,4-5H2,1-3H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3.
What are the key properties of 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane?
1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane has a molecular weight of 999.78 g/mol, XLogP of 23.59, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbutane;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropylcyclobutane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane;1,1,1-trifluoro-2,3-dimethylbutane;2,2,4-trimethylpentane is sourced from PubChem (CID 167683451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).