4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol

C23H40O — CID 21197472

IUPAC4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol
SMILESC=C1CC=C(O)C(CCCCCCCC)=C1CCCCCCCC
InChIInChI=1S/C23H40O/c1-4-6-8-10-12-14-16-21-20(3)18-19-23(24)22(21)17-15-13-11-9-7-5-2/h19,24H,3-18H2,1-2H3
InChIKeyAXUANWKFHCWFME-UHFFFAOYSA-N
MW332.57 g/mol
LogP8.19
Rot. Bonds14

About 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol

4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol (PubChem CID 21197472) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol
PubChem CID21197472
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol
SMILESC=C1CC=C(O)C(CCCCCCCC)=C1CCCCCCCC
InChIInChI=1S/C23H40O/c1-4-6-8-10-12-14-16-21-20(3)18-19-23(24)22(21)17-15-13-11-9-7-5-2/h19,24H,3-18H2,1-2H3
InChIKeyAXUANWKFHCWFME-UHFFFAOYSA-N
XLogP8.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methylidenecyclohexen-1-yl)propan-1-ol
CID 102214093
[(3Z)-5-[2-hydroxy-4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]hexa-1,3,5-trien-2-yl] hypofluorite
CID 144772101
2,5-Bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
CID 90844568
Isopropenyl-methylen-cyclohexenol
CID 129636701
Geranylcyclohexenetriol
CID 129834509
1-(Cyclohexen-1-yl)but-1-en-1-ol
CID 22166341
4-Methyl-1,2-dioctadecylcyclohexa-2,4-dien-1-ol
CID 20313521
5,6-Didodecyl-4-methylidenecyclohexa-1,5-dien-1-ol
CID 21421426
4-Methylidene-5,6-bis(6-methylnonan-4-yl)cyclohexa-1,5-dien-1-ol
CID 21553747
2-Dodecylcyclohexa-1,3-dien-1-ol
CID 22756019
1-Cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
1-(4-Methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol
CID 23569007

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol (CID 21197472) is 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol is C=C1CC=C(O)C(CCCCCCCC)=C1CCCCCCCC.
What is the InChIKey of 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol?
The InChIKey is AXUANWKFHCWFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-4-6-8-10-12-14-16-21-20(3)18-19-23(24)22(21)17-15-13-11-9-7-5-2/h19,24H,3-18H2,1-2H3.
What are the key properties of 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol?
4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol has a molecular weight of 332.57 g/mol, XLogP of 8.19, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5,6-dioctylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 21197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).