4,4-bis(2-hydroxyethyl)cyclohexan-1-ol

C10H20O3 — CID 141270843

IUPAC4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
SMILESOCCC1(CCO)CCC(O)CC1
InChIInChI=1S/C10H20O3/c11-7-5-10(6-8-12)3-1-9(13)2-4-10/h9,11-13H,1-8H2
InChIKeyKECUZLUWWSIEIP-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.67
Rot. Bonds4

About 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol

4,4-bis(2-hydroxyethyl)cyclohexan-1-ol (PubChem CID 141270843) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
PubChem CID141270843
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
SMILESOCCC1(CCO)CCC(O)CC1
InChIInChI=1S/C10H20O3/c11-7-5-10(6-8-12)3-1-9(13)2-4-10/h9,11-13H,1-8H2
InChIKeyKECUZLUWWSIEIP-UHFFFAOYSA-N
XLogP0.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
Hydrogenated bisphenol a
CID 94932
4-Pentylcyclohexanol
CID 41076
Cyclohexanemethanol, alpha,3,3-trimethyl-
CID 91338
Cyclohexanol, 4-(3-methylbutyl)-
CID 18356807
1-Cyclohexyl-2,2-dimethylpropan-1-ol
CID 143868
2,2-Dimethylcyclohexan-1-ol
CID 557637
Cyclohexane-1,1-diethanol
CID 76657
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
CID 79442
Cyclohexanedimethanol
CID 250594
4-Ethyl-4-methylcyclohexan-1-ol
CID 58534353
Cyclohexanol, 4,4-dimethyl-
CID 136735

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol?
The IUPAC name of 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol (CID 141270843) is 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol is OCCC1(CCO)CCC(O)CC1.
What is the InChIKey of 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol?
The InChIKey is KECUZLUWWSIEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c11-7-5-10(6-8-12)3-1-9(13)2-4-10/h9,11-13H,1-8H2.
What are the key properties of 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol?
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-hydroxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 141270843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).