4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol

C14H26O2 — CID 123385352

IUPAC4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
SMILESCCC1(C2CCC(O)CC2)CCC(O)CC1
InChIInChI=1S/C14H26O2/c1-2-14(9-7-13(16)8-10-14)11-3-5-12(15)6-4-11/h11-13,15-16H,2-10H2,1H3
InChIKeyHXSSEIQEQMQNHS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.87
Rot. Bonds2

About 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol

4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol (PubChem CID 123385352) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
PubChem CID123385352
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol
SMILESCCC1(C2CCC(O)CC2)CCC(O)CC1
InChIInChI=1S/C14H26O2/c1-2-14(9-7-13(16)8-10-14)11-3-5-12(15)6-4-11/h11-13,15-16H,2-10H2,1H3
InChIKeyHXSSEIQEQMQNHS-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol (CID 123385352) is 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol is CCC1(C2CCC(O)CC2)CCC(O)CC1.
What is the InChIKey of 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol?
The InChIKey is HXSSEIQEQMQNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-14(9-7-13(16)8-10-14)11-3-5-12(15)6-4-11/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol?
4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(4-hydroxycyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 123385352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).