1-cyclohexyl-1-methoxydodecan-2-ol

C19H38O2 — CID 116756363

IUPAC1-cyclohexyl-1-methoxydodecan-2-ol
SMILESCCCCCCCCCCC(O)C(OC)C1CCCCC1
InChIInChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17-20H,3-16H2,1-2H3
InChIKeyHZPGYWBETUMMKH-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.47
Rot. Bonds12

About 1-cyclohexyl-1-methoxydodecan-2-ol

1-cyclohexyl-1-methoxydodecan-2-ol (PubChem CID 116756363) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxydodecan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxydodecan-2-ol
PubChem CID116756363
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-cyclohexyl-1-methoxydodecan-2-ol
SMILESCCCCCCCCCCC(O)C(OC)C1CCCCC1
InChIInChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17-20H,3-16H2,1-2H3
InChIKeyHZPGYWBETUMMKH-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1-cyclohexyl-1-methoxynonan-2-yl)hydrazine
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(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
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1-cyclohexyl-1-methoxy-5-phenylpentan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxydodecan-2-ol?
The IUPAC name of 1-cyclohexyl-1-methoxydodecan-2-ol (CID 116756363) is 1-cyclohexyl-1-methoxydodecan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1-methoxydodecan-2-ol?
The canonical SMILES for 1-cyclohexyl-1-methoxydodecan-2-ol is CCCCCCCCCCC(O)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxydodecan-2-ol?
The InChIKey is HZPGYWBETUMMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-13-16-18(20)19(21-2)17-14-11-10-12-15-17/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-methoxydodecan-2-ol?
1-cyclohexyl-1-methoxydodecan-2-ol has a molecular weight of 298.51 g/mol, XLogP of 5.47, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxydodecan-2-ol is sourced from PubChem (CID 116756363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).