2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane

C69H140 — CID 160735946

IUPAC2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane
SMILESCC(C)C1(C)CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1C.CC(C)CC(C)(C)C1CC1.CC(C)CC(C)(C)C1CCC1.CC(C)CCC(C)(C)C.CC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22.4C10H20.C9H18.C9H20/c1-9(2)8-11(3,4)10-6-5-7-10;1-8(2)7-10(3,4)9-5-6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10(3)7-5-4-6-8-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-8(2)6-7-9(3,4)5/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3
InChIKeyRUYGQEKGTABAEP-UHFFFAOYSA-N
MW969.88 g/mol
LogP24.57
Rot. Bonds12

About 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane

2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane (PubChem CID 160735946) has the molecular formula C69H140 and a molecular weight of 969.88 g/mol. Its IUPAC name is 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane.

Molecular Properties

Compound Name2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane
PubChem CID160735946
Molecular FormulaC69H140
Molecular Weight969.88 g/mol
Exact Mass969.10
IUPAC Name2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane
SMILESCC(C)C1(C)CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1C.CC(C)CC(C)(C)C1CC1.CC(C)CC(C)(C)C1CCC1.CC(C)CCC(C)(C)C.CC1CCC(C(C)C)CC1
InChIInChI=1S/C11H22.4C10H20.C9H18.C9H20/c1-9(2)8-11(3,4)10-6-5-7-10;1-8(2)7-10(3,4)9-5-6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10(3)7-5-4-6-8-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-8(2)6-7-9(3,4)5/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3
InChIKeyRUYGQEKGTABAEP-UHFFFAOYSA-N
XLogP24.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.88
LogP ≤ 524.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane with MolForge

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Launch Full Analysis

Related Compounds

N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;bis(2-methylhexane);3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159141613
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;methane;bis(2-methylhexane);(3R)-3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159815001
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;2-methylhexane;(3R)-3-methylhexane;1,1,2,3,3-pentamethylcyclohexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
CID 162229638
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
(2R,3R)-6,6-dimethyl-3-(2-methylcyclohexyl)heptan-2-ol
CID 129109393
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
2-deuteriopropane;1-deuterio-1-propan-2-ylcyclohexane;3,3-dideuterio-2,2,4-trimethylpentane;1-methyl-1-propan-2-ylcyclopentane;2-methylpropylbenzene;propane;propan-2-ylcyclobutane;propan-2-ylcycloheptane;propan-2-ylcyclohexane;propan-2-ylcyclooctane;propan-2-ylcyclopentane
CID 165031799
1,1,5-trimethyl-11-propan-2-ylcyclotetradecane
CID 123878948
2-(3,4-dimethylcyclopentyl)-2-methyladamantane;1-(3,4-dimethylcyclopentyl)-1-methylcyclohexane;1,2-dimethyl-4-(2-methylpentan-2-yl)cyclopentane;1-(2,4-dimethylpentan-2-yl)-3-methylcyclopentane;2-methyl-2-(3-methylcyclopentyl)adamantane;1-methyl-1-(3-methylcyclopentyl)cyclohexane;1-methyl-3-(2-methylpentan-2-yl)cyclopentane
CID 162289952
1,4-dimethyl-1-propan-2-ylcycloheptane
CID 123383887
2,4-dimethylpentane;ethane;1-ethyl-1-(2-methylpropyl)cyclopropane;methane;1-methyl-1-(3-methylbutyl)cyclopropane;2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;6-propan-2-yl-2-oxaspiro[3.3]heptane;3-propan-2-yloxetane;3-propan-2-yloxolane;2,2,3-trimethylbutane;2,2,5-trimethylhexane;2,4,4-trimethylhexane
CID 167619820

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane?
The IUPAC name of 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane (CID 160735946) is 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane.
What is the SMILES notation for 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane?
The canonical SMILES for 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane is CC(C)C1(C)CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1C.CC(C)CC(C)(C)C1CC1.CC(C)CC(C)(C)C1CCC1.CC(C)CCC(C)(C)C.CC1CCC(C(C)C)CC1.
What is the InChIKey of 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane?
The InChIKey is RUYGQEKGTABAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.4C10H20.C9H18.C9H20/c1-9(2)8-11(3,4)10-6-5-7-10;1-8(2)7-10(3,4)9-5-6-9;1-8(2)10-6-4-9(3)5-7-10;1-9(2)10(3)7-5-4-6-8-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)9-6-4-3-5-7-9;1-8(2)6-7-9(3,4)5/h9-10H,5-8H2,1-4H3;8-9H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;8H,6-7H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane?
2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane has a molecular weight of 969.88 g/mol, XLogP of 24.57, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-2-ylcyclobutane;2,4-dimethylpentan-2-ylcyclopropane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-2-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane;2,2,5-trimethylhexane is sourced from PubChem (CID 160735946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).