2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol

C10H14O — CID 151533761

IUPAC2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=CC1(CCO)C=CC=CC1
InChIInChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h2-6,11H,1,7-9H2
InChIKeyPXAIPHDEGCOHHZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.06
Rot. Bonds3

About 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol

2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 151533761) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID151533761
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol
SMILESC=CC1(CCO)C=CC=CC1
InChIInChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h2-6,11H,1,7-9H2
InChIKeyPXAIPHDEGCOHHZ-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-ethenylcyclohexa-2,4-dien-1-yl)methyl-trimethylazanium
CID 158984229
[2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 175202770
2-(1-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 141314987
1-ethenylcyclohexa-2,4-dien-1-ol
CID 66814582
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
CID 141230573
5,5-bis(prop-2-enyl)cyclohexa-1,3-diene
CID 174405622
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
(1-butylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 150403255
2-[5-[(1-ethenylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-2-yl]pyridine
CID 67775617
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
dimethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 137373887
N-[(1R)-1-ethenylcyclohexa-2,4-dien-1-yl]acetamide
CID 174428566

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol (CID 151533761) is 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol is C=CC1(CCO)C=CC=CC1.
What is the InChIKey of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is PXAIPHDEGCOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(8-9-11)6-4-3-5-7-10/h2-6,11H,1,7-9H2.
What are the key properties of 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol?
2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol has a molecular weight of 150.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 151533761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).