2-prop-2-enylcyclohexa-1,3-dien-1-ol

C9H12O — CID 18358805

IUPAC2-prop-2-enylcyclohexa-1,3-dien-1-ol
SMILESC=CCC1=C(O)CCC=C1
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,10H,1,4-5,7H2
InChIKeyDSQHKTXEZSKVRO-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds2

About 2-prop-2-enylcyclohexa-1,3-dien-1-ol

2-prop-2-enylcyclohexa-1,3-dien-1-ol (PubChem CID 18358805) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-prop-2-enylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-prop-2-enylcyclohexa-1,3-dien-1-ol
PubChem CID18358805
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-prop-2-enylcyclohexa-1,3-dien-1-ol
SMILESC=CCC1=C(O)CCC=C1
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,10H,1,4-5,7H2
InChIKeyDSQHKTXEZSKVRO-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-prop-2-enylcyclohexa-1,3-dien-1-ol (CID 18358805) is 2-prop-2-enylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-prop-2-enylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-prop-2-enylcyclohexa-1,3-dien-1-ol is C=CCC1=C(O)CCC=C1.
What is the InChIKey of 2-prop-2-enylcyclohexa-1,3-dien-1-ol?
The InChIKey is DSQHKTXEZSKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,10H,1,4-5,7H2.
What are the key properties of 2-prop-2-enylcyclohexa-1,3-dien-1-ol?
2-prop-2-enylcyclohexa-1,3-dien-1-ol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 18358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).