1,1-dicyclohexylethanol

C14H26O — CID 13016083

IUPAC1,1-dicyclohexylethanol
SMILESCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13,15H,2-11H2,1H3
InChIKeyGSADUEGMMCSOFU-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.90
Rot. Bonds2

About 1,1-dicyclohexylethanol

1,1-dicyclohexylethanol (PubChem CID 13016083) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,1-dicyclohexylethanol.

Molecular Properties

Compound Name1,1-dicyclohexylethanol
PubChem CID13016083
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1,1-dicyclohexylethanol
SMILESCC(O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C14H26O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13,15H,2-11H2,1H3
InChIKeyGSADUEGMMCSOFU-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylethanol?
The IUPAC name of 1,1-dicyclohexylethanol (CID 13016083) is 1,1-dicyclohexylethanol.
What is the SMILES notation for 1,1-dicyclohexylethanol?
The canonical SMILES for 1,1-dicyclohexylethanol is CC(O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylethanol?
The InChIKey is GSADUEGMMCSOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1,1-dicyclohexylethanol?
1,1-dicyclohexylethanol has a molecular weight of 210.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylethanol is sourced from PubChem (CID 13016083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).