1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane

C19H38 — CID 90877795

IUPAC1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
SMILESCCCCCC(CC)C1CCC(C)C(C)C1C(C)C
InChIInChI=1S/C19H38/c1-7-9-10-11-17(8-2)18-13-12-15(5)16(6)19(18)14(3)4/h14-19H,7-13H2,1-6H3
InChIKeyLGMBJKASDGUZOY-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.55
Rot. Bonds7

About 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane

1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane (PubChem CID 90877795) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
PubChem CID90877795
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
SMILESCCCCCC(CC)C1CCC(C)C(C)C1C(C)C
InChIInChI=1S/C19H38/c1-7-9-10-11-17(8-2)18-13-12-15(5)16(6)19(18)14(3)4/h14-19H,7-13H2,1-6H3
InChIKeyLGMBJKASDGUZOY-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-hexan-3-yl-1,3,4-trimethylcyclohexane
CID 123632457
(1S,2R,4S)-2-henicosan-11-yl-1,4-dimethylcyclohexane
CID 98523786
trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
CID 101119918
2-decan-4-yl-1,4-dimethylcyclohexane
CID 123729165
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
nonan-3-ylcyclopentane
CID 19893531
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane
CID 123628230
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane?
The IUPAC name of 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane (CID 90877795) is 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane.
What is the SMILES notation for 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane?
The canonical SMILES for 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane is CCCCCC(CC)C1CCC(C)C(C)C1C(C)C.
What is the InChIKey of 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane?
The InChIKey is LGMBJKASDGUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-7-9-10-11-17(8-2)18-13-12-15(5)16(6)19(18)14(3)4/h14-19H,7-13H2,1-6H3.
What are the key properties of 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane?
1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane has a molecular weight of 266.51 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane is sourced from PubChem (CID 90877795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).