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

C17H34 — CID 123569728

IUPAC1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
SMILESCCCCC(C)C1(C(C)C)CCC(C)C(C)C1
InChIInChI=1S/C17H34/c1-7-8-9-16(6)17(13(2)3)11-10-14(4)15(5)12-17/h13-16H,7-12H2,1-6H3
InChIKeyQWJQSCCZHKRIEA-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.91
Rot. Bonds5

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

1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane (PubChem CID 123569728) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
PubChem CID123569728
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane
SMILESCCCCC(C)C1(C(C)C)CCC(C)C(C)C1
InChIInChI=1S/C17H34/c1-7-8-9-16(6)17(13(2)3)11-10-14(4)15(5)12-17/h13-16H,7-12H2,1-6H3
InChIKeyQWJQSCCZHKRIEA-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The IUPAC name of 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane (CID 123569728) is 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane is CCCCC(C)C1(C(C)C)CCC(C)C(C)C1.
What is the InChIKey of 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane?
The InChIKey is QWJQSCCZHKRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-7-8-9-16(6)17(13(2)3)11-10-14(4)15(5)12-17/h13-16H,7-12H2,1-6H3.
What are the key properties of 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane?
1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-3,4-dimethyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 123569728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).