2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

C15H28O2 — CID 19030164

IUPAC2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C15H28O2/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h11-14,16-17H,3-10H2,1-2H3
InChIKeyVNFGHPHDNKDZBB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.11
Rot. Bonds2

About 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol (PubChem CID 19030164) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
PubChem CID19030164
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESCC(C)(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C15H28O2/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h11-14,16-17H,3-10H2,1-2H3
InChIKeyVNFGHPHDNKDZBB-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol (CID 19030164) is 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol is CC(C)(C1CCCCC1O)C1CCCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is VNFGHPHDNKDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 19030164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).