2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate

C67H140O4 — CID 163974126

IUPAC2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate
SMILESCCCCC(CC)C(CC)OC.CCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC.CCCCCCCCCCCCC(CO)CCCCCCCCCC.O
InChIInChI=1S/C32H64O.C24H50O.C11H24O.H2O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3;1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2;1-5-8-9-10(6-2)11(7-3)12-4;/h29,32H,5-28,30H2,1-4H3;24-25H,3-23H2,1-2H3;10-11H,5-9H2,1-4H3;1H2/b31-29+;;;
InChIKeySDHSLBDAJBJSBE-GDBVSBTKSA-N
MW1009.85 g/mol
LogP23.18
Rot. Bonds55

About 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate

2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate (PubChem CID 163974126) has the molecular formula C67H140O4 and a molecular weight of 1009.85 g/mol. Its IUPAC name is 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate.

Molecular Properties

Compound Name2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate
PubChem CID163974126
Molecular FormulaC67H140O4
Molecular Weight1009.85 g/mol
Exact Mass1009.08
IUPAC Name2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate
SMILESCCCCC(CC)C(CC)OC.CCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC.CCCCCCCCCCCCC(CO)CCCCCCCCCC.O
InChIInChI=1S/C32H64O.C24H50O.C11H24O.H2O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3;1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2;1-5-8-9-10(6-2)11(7-3)12-4;/h29,32H,5-28,30H2,1-4H3;24-25H,3-23H2,1-2H3;10-11H,5-9H2,1-4H3;1H2/b31-29+;;;
InChIKeySDHSLBDAJBJSBE-GDBVSBTKSA-N
XLogP23.18
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds55
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.85
LogP ≤ 523.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate 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

11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane
CID 162425525
11-(2-ethylhexoxymethylidene)tricosane
CID 151053053
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
2-ethylhexan-1-ol;2-hexyloctan-1-ol
CID 146216303
2-nonylundecan-1-ol
CID 14397092
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
1-(2-ethylhex-1-enoxy)decane
CID 166758323
5-(ethenoxymethyl)undecane
CID 90318537

Frequently Asked Questions

What is the IUPAC name of 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate?
The IUPAC name of 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate (CID 163974126) is 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate.
What is the SMILES notation for 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate?
The canonical SMILES for 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate is CCCCC(CC)C(CC)OC.CCCCCCCCCCCCC(CCCCCCCCCC)CO/C=C(\CC)CCCC.CCCCCCCCCCCCC(CO)CCCCCCCCCC.O.
What is the InChIKey of 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate?
The InChIKey is SDHSLBDAJBJSBE-GDBVSBTKSA-N. The full InChI is InChI=1S/C32H64O.C24H50O.C11H24O.H2O/c1-5-9-12-14-16-18-19-21-23-25-28-32(27-24-22-20-17-15-13-10-6-2)30-33-29-31(8-4)26-11-7-3;1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2;1-5-8-9-10(6-2)11(7-3)12-4;/h29,32H,5-28,30H2,1-4H3;24-25H,3-23H2,1-2H3;10-11H,5-9H2,1-4H3;1H2/b31-29+;;;.
What are the key properties of 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate?
2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate has a molecular weight of 1009.85 g/mol, XLogP of 23.18, 55 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyltetradecan-1-ol;11-[[(E)-2-ethylhex-1-enoxy]methyl]tricosane;4-ethyl-3-methoxyoctane;hydrate is sourced from PubChem (CID 163974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).