1-cyclopropyl-1-ethoxytetradecan-2-ol

C19H38O2 — CID 116712966

IUPAC1-cyclopropyl-1-ethoxytetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)C(OCC)C1CC1
InChIInChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19(21-4-2)17-15-16-17/h17-20H,3-16H2,1-2H3
InChIKeyXXSZBWQLXMFZKO-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.47
Rot. Bonds15

About 1-cyclopropyl-1-ethoxytetradecan-2-ol

1-cyclopropyl-1-ethoxytetradecan-2-ol (PubChem CID 116712966) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxytetradecan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxytetradecan-2-ol
PubChem CID116712966
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name1-cyclopropyl-1-ethoxytetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)C(OCC)C1CC1
InChIInChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19(21-4-2)17-15-16-17/h17-20H,3-16H2,1-2H3
InChIKeyXXSZBWQLXMFZKO-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
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'}

Analyze 1-cyclopropyl-1-ethoxytetradecan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-methoxydodecan-2-ol
CID 116712498
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
1-cyclohexyl-1-methoxydodecan-2-ol
CID 116756363
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
1-cyclopropyl-1-ethoxyhept-6-yn-2-ol
CID 116712756
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
4-ethoxydodecan-5-ol
CID 116711346
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxytetradecan-2-ol?
The IUPAC name of 1-cyclopropyl-1-ethoxytetradecan-2-ol (CID 116712966) is 1-cyclopropyl-1-ethoxytetradecan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-ethoxytetradecan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-ethoxytetradecan-2-ol is CCCCCCCCCCCCC(O)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxytetradecan-2-ol?
The InChIKey is XXSZBWQLXMFZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-18(20)19(21-4-2)17-15-16-17/h17-20H,3-16H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxytetradecan-2-ol?
1-cyclopropyl-1-ethoxytetradecan-2-ol has a molecular weight of 298.51 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxytetradecan-2-ol is sourced from PubChem (CID 116712966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).