5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol

C22H40O — CID 68923292

IUPAC5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCCCCCC1(C)C=CC(CCCCC)=C(O)C1
InChIInChI=1S/C22H40O/c1-4-6-8-9-10-11-12-14-17-22(3)18-16-20(21(23)19-22)15-13-7-5-2/h16,18,23H,4-15,17,19H2,1-3H3
InChIKeyQRLGMENHVPXRLD-UHFFFAOYSA-N
MW320.56 g/mol
LogP7.88
Rot. Bonds13

About 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol

5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol (PubChem CID 68923292) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
PubChem CID68923292
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol
SMILESCCCCCCCCCCC1(C)C=CC(CCCCC)=C(O)C1
InChIInChI=1S/C22H40O/c1-4-6-8-9-10-11-12-14-17-22(3)18-16-20(21(23)19-22)15-13-7-5-2/h16,18,23H,4-15,17,19H2,1-3H3
InChIKeyQRLGMENHVPXRLD-UHFFFAOYSA-N
XLogP7.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 57.88
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

2-[(2-hydroxy-5-methyl-5-nonylcyclohexa-1,3-dien-1-yl)methyl]-4-methyl-4-nonylcyclohexa-1,5-dien-1-ol
CID 67823707
2,4-dibutyl-4-methylcyclohexa-1,5-dien-1-ol
CID 67820941
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
1,4,5,6-tetra(tridecyl)cyclohexa-2,4-dien-1-ol
CID 175425694
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
1,4-dihexylcyclohexa-2,4-diene-1-sulfonic acid
CID 139979030
2-methyl-2-[(3S)-3-methyl-3-nonyloxaziridin-2-yl]propan-1-ol
CID 11139773
3-hexyl-1,2-dimethyl-1H-silole
CID 173240913
3-decyl-5,5-dimethylcyclohex-2-en-1-ol
CID 65177036
(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262183
2-tert-butyl-5-heptyl-5-methylcyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 151803066
3-methyl-1-pentylcyclopent-3-en-1-ol
CID 139771614

Frequently Asked Questions

What is the IUPAC name of 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol (CID 68923292) is 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol is CCCCCCCCCCC1(C)C=CC(CCCCC)=C(O)C1.
What is the InChIKey of 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol?
The InChIKey is QRLGMENHVPXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-4-6-8-9-10-11-12-14-17-22(3)18-16-20(21(23)19-22)15-13-7-5-2/h16,18,23H,4-15,17,19H2,1-3H3.
What are the key properties of 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol?
5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol has a molecular weight of 320.56 g/mol, XLogP of 7.88, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-5-methyl-2-pentylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 68923292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).