2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol

C10H14O — CID 141230573

IUPAC2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
SMILESCCC1(C=CO)C=CC=CC1
InChIInChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h3-6,8-9,11H,2,7H2,1H3
InChIKeyIZYAPAWGRYKXJD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol

2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol (PubChem CID 141230573) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol.

Molecular Properties

Compound Name2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
PubChem CID141230573
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
SMILESCCC1(C=CO)C=CC=CC1
InChIInChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h3-6,8-9,11H,2,7H2,1H3
InChIKeyIZYAPAWGRYKXJD-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.97
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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Related Compounds

(1-butylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 150403255
(1R)-1-ethylcyclohexa-2,4-dien-1-amine
CID 44624339
2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol
CID 151533761
[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]methanamine
CID 139999917
diethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676679
(1-ethenylcyclohexa-2,4-dien-1-yl)methyl-trimethylazanium
CID 158984229
acetic acid;1-ethylcyclohexa-2,4-dien-1-amine
CID 53446414
5-ethyl-5-iodocyclohexa-1,3-diene
CID 70550002
diethyl 2-[(1-hexylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676685
5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene
CID 139960072
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
CID 175362823
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol?
The IUPAC name of 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol (CID 141230573) is 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol.
What is the SMILES notation for 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol?
The canonical SMILES for 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol is CCC1(C=CO)C=CC=CC1.
What is the InChIKey of 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol?
The InChIKey is IZYAPAWGRYKXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h3-6,8-9,11H,2,7H2,1H3.
What are the key properties of 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol?
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol has a molecular weight of 150.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol is sourced from PubChem (CID 141230573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).