2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol

C10H16O2 — CID 86041420

IUPAC2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol
SMILESOCC=C1CCC(=CCO)CC1
InChIInChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h5-6,11-12H,1-4,7-8H2/b9-5-,10-6+
InChIKeyJYCOZUKAOVMLLC-VTBWALSUSA-N
MW168.24 g/mol
LogP1.40
Rot. Bonds2

About 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol

2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol (PubChem CID 86041420) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol
PubChem CID86041420
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol
SMILESOCC=C1CCC(=CCO)CC1
InChIInChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h5-6,11-12H,1-4,7-8H2/b9-5-,10-6+
InChIKeyJYCOZUKAOVMLLC-VTBWALSUSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(thiolan-3-ylidene)ethanol
CID 14140761
4-cyclopropylidenebutan-1-ol
CID 14119637
4-[4-(2-hydroxyethylidene)cyclohexyl]phenol
CID 118097387
(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
CID 115011418
2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
CID 159790396
1,4-di(butylidene)cyclohexane
CID 175542706
4-cyclohexylidenebutan-1-ol
CID 557018
3-(1,1-dimethylsilinan-4-ylidene)propan-1-ol
CID 69475548
3-(4-oxocyclohexylidene)propanoic acid
CID 126845805
5-cyclodecylidenepentan-1-ol
CID 24801376
2-piperidin-2-ylideneethanol
CID 67807310
6-cyclobutylidenehexan-1-ol
CID 14022228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol (CID 86041420) is 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol is OCC=C1CCC(=CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol?
The InChIKey is JYCOZUKAOVMLLC-VTBWALSUSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h5-6,11-12H,1-4,7-8H2/b9-5-,10-6+.
What are the key properties of 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol?
2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylidene)cyclohexylidene]ethanol is sourced from PubChem (CID 86041420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).