6-prop-2-enylcyclohexa-1,5-dien-1-ol

C9H12O — CID 129210749

IUPAC6-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1=CCCC=C1O
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2,6-7,10H,1,3-5H2
InChIKeyXIMYZCITFMZSGI-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds2

About 6-prop-2-enylcyclohexa-1,5-dien-1-ol

6-prop-2-enylcyclohexa-1,5-dien-1-ol (PubChem CID 129210749) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 6-prop-2-enylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-prop-2-enylcyclohexa-1,5-dien-1-ol
PubChem CID129210749
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name6-prop-2-enylcyclohexa-1,5-dien-1-ol
SMILESC=CCC1=CCCC=C1O
InChIInChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2,6-7,10H,1,3-5H2
InChIKeyXIMYZCITFMZSGI-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 6-prop-2-enylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-prop-2-enylcyclohexa-1,5-dien-1-ol (CID 129210749) is 6-prop-2-enylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-prop-2-enylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-prop-2-enylcyclohexa-1,5-dien-1-ol is C=CCC1=CCCC=C1O.
What is the InChIKey of 6-prop-2-enylcyclohexa-1,5-dien-1-ol?
The InChIKey is XIMYZCITFMZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h2,6-7,10H,1,3-5H2.
What are the key properties of 6-prop-2-enylcyclohexa-1,5-dien-1-ol?
6-prop-2-enylcyclohexa-1,5-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 6-prop-2-enylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 129210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).