4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol

C19H36O2 — CID 18534454

IUPAC4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol
SMILESCC(CC1CCC(O)CC1)C1(CCCCO)CCCCC1
InChIInChI=1S/C19H36O2/c1-16(15-17-7-9-18(21)10-8-17)19(13-5-6-14-20)11-3-2-4-12-19/h16-18,20-21H,2-15H2,1H3
InChIKeyHOQQCIGTYZCTMC-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.68
Rot. Bonds7

About 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol

4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol (PubChem CID 18534454) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol
PubChem CID18534454
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol
SMILESCC(CC1CCC(O)CC1)C1(CCCCO)CCCCC1
InChIInChI=1S/C19H36O2/c1-16(15-17-7-9-18(21)10-8-17)19(13-5-6-14-20)11-3-2-4-12-19/h16-18,20-21H,2-15H2,1H3
InChIKeyHOQQCIGTYZCTMC-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
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 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol (CID 18534454) is 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol is CC(CC1CCC(O)CC1)C1(CCCCO)CCCCC1.
What is the InChIKey of 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol?
The InChIKey is HOQQCIGTYZCTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-16(15-17-7-9-18(21)10-8-17)19(13-5-6-14-20)11-3-2-4-12-19/h16-18,20-21H,2-15H2,1H3.
What are the key properties of 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol?
4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-hydroxybutyl)cyclohexyl]propyl]cyclohexan-1-ol is sourced from PubChem (CID 18534454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).