4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

C13H16O — CID 67296525

IUPAC4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1=C(CC=C)C(O)=CCC1=C
InChIInChI=1S/C13H16O/c1-4-6-11-10(3)8-9-13(14)12(11)7-5-2/h4-5,9,14H,1-3,6-8H2
InChIKeyAQTCEEMFPPISDS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.84
Rot. Bonds4

About 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (PubChem CID 67296525) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
PubChem CID67296525
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1=C(CC=C)C(O)=CCC1=C
InChIInChI=1S/C13H16O/c1-4-6-11-10(3)8-9-13(14)12(11)7-5-2/h4-5,9,14H,1-3,6-8H2
InChIKeyAQTCEEMFPPISDS-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.84
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 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (CID 67296525) is 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is C=CCC1=C(CC=C)C(O)=CCC1=C.
What is the InChIKey of 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is AQTCEEMFPPISDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-6-11-10(3)8-9-13(14)12(11)7-5-2/h4-5,9,14H,1-3,6-8H2.
What are the key properties of 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 67296525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).