4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile

C17H29NO — CID 67829875

IUPAC4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile
SMILESCC1CCC(C(CCO)C2CCC(C#N)CC2)CC1
InChIInChI=1S/C17H29NO/c1-13-2-6-15(7-3-13)17(10-11-19)16-8-4-14(12-18)5-9-16/h13-17,19H,2-11H2,1H3
InChIKeyBDEBGOFCYDTYEP-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.14
Rot. Bonds4

About 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile

4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile (PubChem CID 67829875) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile
PubChem CID67829875
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile
SMILESCC1CCC(C(CCO)C2CCC(C#N)CC2)CC1
InChIInChI=1S/C17H29NO/c1-13-2-6-15(7-3-13)17(10-11-19)16-8-4-14(12-18)5-9-16/h13-17,19H,2-11H2,1H3
InChIKeyBDEBGOFCYDTYEP-UHFFFAOYSA-N
XLogP4.14
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile (CID 67829875) is 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile is CC1CCC(C(CCO)C2CCC(C#N)CC2)CC1.
What is the InChIKey of 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile?
The InChIKey is BDEBGOFCYDTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-2-6-15(7-3-13)17(10-11-19)16-8-4-14(12-18)5-9-16/h13-17,19H,2-11H2,1H3.
What are the key properties of 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile?
4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile has a molecular weight of 263.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-1-(4-methylcyclohexyl)propyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 67829875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).