cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol

C12H16O — CID 140977539

IUPACcyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol
SMILESOC(=C1C=CC=C1)C1CCCCC1
InChIInChI=1S/C12H16O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyFZTSIWIUWXGRCM-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.50
Rot. Bonds1

About cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol

cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 140977539) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Namecyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID140977539
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namecyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol
SMILESOC(=C1C=CC=C1)C1CCCCC1
InChIInChI=1S/C12H16O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyFZTSIWIUWXGRCM-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol (CID 140977539) is cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol is OC(=C1C=CC=C1)C1CCCCC1.
What is the InChIKey of cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is FZTSIWIUWXGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2.
What are the key properties of cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol?
cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 176.26 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(cyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 140977539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).