1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol

C29H40O2 — CID 10717043

IUPAC1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
SMILESOC(CCCC(O)(c1ccccc1)C1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H40O2/c30-28(24-14-5-1-6-15-24,25-16-7-2-8-17-25)22-13-23-29(31,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1,3,5-6,9-10,14-15,18-19,25,27,30-31H,2,4,7-8,11-13,16-17,20-23H2
InChIKeyNPGJNTWHQBPBTP-UHFFFAOYSA-N
MW420.64 g/mol
LogP7.09
Rot. Bonds8

About 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol

1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol (PubChem CID 10717043) has the molecular formula C29H40O2 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol.

Molecular Properties

Compound Name1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
PubChem CID10717043
Molecular FormulaC29H40O2
Molecular Weight420.64 g/mol
Exact Mass420.30
IUPAC Name1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
SMILESOC(CCCC(O)(c1ccccc1)C1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H40O2/c30-28(24-14-5-1-6-15-24,25-16-7-2-8-17-25)22-13-23-29(31,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1,3,5-6,9-10,14-15,18-19,25,27,30-31H,2,4,7-8,11-13,16-17,20-23H2
InChIKeyNPGJNTWHQBPBTP-UHFFFAOYSA-N
XLogP7.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4,4',4''-Trimethyltrityl alcohol
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1,1,3-Triphenyl-2-propyn-1-ol
CID 137058
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1,2-Diphenyl-2-propanol
CID 95356

Frequently Asked Questions

What is the IUPAC name of 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol?
The IUPAC name of 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol (CID 10717043) is 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol.
What is the SMILES notation for 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol?
The canonical SMILES for 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol is OC(CCCC(O)(c1ccccc1)C1CCCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol?
The InChIKey is NPGJNTWHQBPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40O2/c30-28(24-14-5-1-6-15-24,25-16-7-2-8-17-25)22-13-23-29(31,26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1,3,5-6,9-10,14-15,18-19,25,27,30-31H,2,4,7-8,11-13,16-17,20-23H2.
What are the key properties of 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol?
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol has a molecular weight of 420.64 g/mol, XLogP of 7.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol is sourced from PubChem (CID 10717043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).