3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol

C14H28OS — CID 170091818

IUPAC3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol
SMILESCSCCCC(CCO)C1CCC(C)CC1
InChIInChI=1S/C14H28OS/c1-12-5-7-14(8-6-12)13(9-10-15)4-3-11-16-2/h12-15H,3-11H2,1-2H3
InChIKeyQAEIKALKQXYUBU-UHFFFAOYSA-N
MW244.44 g/mol
LogP3.95
Rot. Bonds7

About 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol

3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol (PubChem CID 170091818) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol
PubChem CID170091818
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol
SMILESCSCCCC(CCO)C1CCC(C)CC1
InChIInChI=1S/C14H28OS/c1-12-5-7-14(8-6-12)13(9-10-15)4-3-11-16-2/h12-15H,3-11H2,1-2H3
InChIKeyQAEIKALKQXYUBU-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol?
The IUPAC name of 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol (CID 170091818) is 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol.
What is the SMILES notation for 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol?
The canonical SMILES for 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol is CSCCCC(CCO)C1CCC(C)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol?
The InChIKey is QAEIKALKQXYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c1-12-5-7-14(8-6-12)13(9-10-15)4-3-11-16-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol?
3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol has a molecular weight of 244.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-6-methylsulfanylhexan-1-ol is sourced from PubChem (CID 170091818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).