2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane

C33H76 — CID 143355436

IUPAC2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane
SMILESC=C(C)C(CCC(C)C(C)(C)C)C1CCC1.CC.CC.CC.CC(C)(C)C.CCC.CCC
InChIInChI=1S/C16H30.C5H12.2C3H8.3C2H6/c1-12(2)15(14-8-7-9-14)11-10-13(3)16(4,5)6;1-5(2,3)4;2*1-3-2;3*1-2/h13-15H,1,7-11H2,2-6H3;1-4H3;2*3H2,1-2H3;3*1-2H3
InChIKeyXUPVMLOZYNUESP-UHFFFAOYSA-N
MW472.97 g/mol
LogP13.40
Rot. Bonds5

About 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane

2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane (PubChem CID 143355436) has the molecular formula C33H76 and a molecular weight of 472.97 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane
PubChem CID143355436
Molecular FormulaC33H76
Molecular Weight472.97 g/mol
Exact Mass472.59
IUPAC Name2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane
SMILESC=C(C)C(CCC(C)C(C)(C)C)C1CCC1.CC.CC.CC.CC(C)(C)C.CCC.CCC
InChIInChI=1S/C16H30.C5H12.2C3H8.3C2H6/c1-12(2)15(14-8-7-9-14)11-10-13(3)16(4,5)6;1-5(2,3)4;2*1-3-2;3*1-2/h13-15H,1,7-11H2,2-6H3;1-4H3;2*3H2,1-2H3;3*1-2H3
InChIKeyXUPVMLOZYNUESP-UHFFFAOYSA-N
XLogP13.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.97
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane with MolForge

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Related Compounds

ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
3,5,6,6-tetramethylheptan-2-ylcyclobutane
CID 123690991
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
2,2-dimethylpropane;ethane;ethylcyclopentane;2-methylprop-1-ene
CID 143356436
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
2-prop-1-en-2-ylpentylcyclobutane
CID 123471153
propane;propan-2-ylcyclopentane
CID 91615250
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
N-(3-cyclobutyl-2-methylheptan-4-yl)methanimine
CID 91451844
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
(3S)-3,4,4-trimethylpentan-1-ol
CID 124507131

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane?
The IUPAC name of 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane (CID 143355436) is 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane.
What is the SMILES notation for 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane?
The canonical SMILES for 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane is C=C(C)C(CCC(C)C(C)(C)C)C1CCC1.CC.CC.CC.CC(C)(C)C.CCC.CCC.
What is the InChIKey of 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane?
The InChIKey is XUPVMLOZYNUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.C5H12.2C3H8.3C2H6/c1-12(2)15(14-8-7-9-14)11-10-13(3)16(4,5)6;1-5(2,3)4;2*1-3-2;3*1-2/h13-15H,1,7-11H2,2-6H3;1-4H3;2*3H2,1-2H3;3*1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane?
2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane has a molecular weight of 472.97 g/mol, XLogP of 13.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;propane;2,6,7,7-tetramethyloct-1-en-3-ylcyclobutane is sourced from PubChem (CID 143355436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).