1-cyclohexyl-2-methylidenedodecan-1-ol

C19H36O — CID 101237279

IUPAC1-cyclohexyl-2-methylidenedodecan-1-ol
SMILESC=C(CCCCCCCCCC)C(O)C1CCCCC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-11-14-17(2)19(20)18-15-12-10-13-16-18/h18-20H,2-16H2,1H3
InChIKeyPNFFUSMHUGGYKE-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.01
Rot. Bonds11

About 1-cyclohexyl-2-methylidenedodecan-1-ol

1-cyclohexyl-2-methylidenedodecan-1-ol (PubChem CID 101237279) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylidenedodecan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-methylidenedodecan-1-ol
PubChem CID101237279
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-cyclohexyl-2-methylidenedodecan-1-ol
SMILESC=C(CCCCCCCCCC)C(O)C1CCCCC1
InChIInChI=1S/C19H36O/c1-3-4-5-6-7-8-9-11-14-17(2)19(20)18-15-12-10-13-16-18/h18-20H,2-16H2,1H3
InChIKeyPNFFUSMHUGGYKE-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclohexyldodecane-1,2-diol
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(2E)-1-cyclohexyl-2-ethyl-3,4-dimethylpenta-2,4-dien-1-ol
CID 132529865
1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
1-cyclohexylheptylcyclohexane
CID 16404
butan-2-ylcyclohexane;heptane
CID 143477095
hexadecan-8-ylcyclohexane
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1-cycloheptyldecylcycloheptane
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dicyclohexylmethylsilyl hexanoate
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(Z,1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilyldec-3-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylidenedodecan-1-ol?
The IUPAC name of 1-cyclohexyl-2-methylidenedodecan-1-ol (CID 101237279) is 1-cyclohexyl-2-methylidenedodecan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-methylidenedodecan-1-ol?
The canonical SMILES for 1-cyclohexyl-2-methylidenedodecan-1-ol is C=C(CCCCCCCCCC)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methylidenedodecan-1-ol?
The InChIKey is PNFFUSMHUGGYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-11-14-17(2)19(20)18-15-12-10-13-16-18/h18-20H,2-16H2,1H3.
What are the key properties of 1-cyclohexyl-2-methylidenedodecan-1-ol?
1-cyclohexyl-2-methylidenedodecan-1-ol has a molecular weight of 280.50 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylidenedodecan-1-ol is sourced from PubChem (CID 101237279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).