cyclohexylidene(ethoxy)methanol

C9H16O2 — CID 14223206

IUPACcyclohexylidene(ethoxy)methanol
SMILESCCOC(O)=C1CCCCC1
InChIInChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h10H,2-7H2,1H3
InChIKeyDOOIDAXACPFJHD-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.76
Rot. Bonds2

About cyclohexylidene(ethoxy)methanol

cyclohexylidene(ethoxy)methanol (PubChem CID 14223206) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is cyclohexylidene(ethoxy)methanol.

Molecular Properties

Compound Namecyclohexylidene(ethoxy)methanol
PubChem CID14223206
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namecyclohexylidene(ethoxy)methanol
SMILESCCOC(O)=C1CCCCC1
InChIInChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h10H,2-7H2,1H3
InChIKeyDOOIDAXACPFJHD-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethoxymethylidenecyclohexane
CID 13085507
Dimethoxymethylidenecyclohexane
CID 13085508
Cyclohexylidene(methoxy)methanol
CID 13284212
Cyclohexylidene(pentan-3-yloxy)methanol
CID 15260092
Cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanol
CID 15417724
Lithium cyclohexylidene(ethoxy)methanolate
CID 23666719
Lithium cyclohexylidene(pentan-3-yloxy)methanolate
CID 23678143
Cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanol
CID 101022877
(Z)-cyclohexylidene(methoxy)methanol
CID 137284856

Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(ethoxy)methanol?
The IUPAC name of cyclohexylidene(ethoxy)methanol (CID 14223206) is cyclohexylidene(ethoxy)methanol.
What is the SMILES notation for cyclohexylidene(ethoxy)methanol?
The canonical SMILES for cyclohexylidene(ethoxy)methanol is CCOC(O)=C1CCCCC1.
What is the InChIKey of cyclohexylidene(ethoxy)methanol?
The InChIKey is DOOIDAXACPFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h10H,2-7H2,1H3.
What are the key properties of cyclohexylidene(ethoxy)methanol?
cyclohexylidene(ethoxy)methanol has a molecular weight of 156.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(ethoxy)methanol is sourced from PubChem (CID 14223206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).