10-decoxyicosane

C30H62O — CID 150196888

IUPAC10-decoxyicosane
SMILESCCCCCCCCCCOC(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H62O/c1-4-7-10-13-16-19-22-25-28-30(27-24-21-18-15-12-9-6-3)31-29-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKeyFOQCUXBSLBHBET-UHFFFAOYSA-N
MW438.83 g/mol
LogP11.18
Rot. Bonds27

About 10-decoxyicosane

10-decoxyicosane (PubChem CID 150196888) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 10-decoxyicosane.

Molecular Properties

Compound Name10-decoxyicosane
PubChem CID150196888
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name10-decoxyicosane
SMILESCCCCCCCCCCOC(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H62O/c1-4-7-10-13-16-19-22-25-28-30(27-24-21-18-15-12-9-6-3)31-29-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
InChIKeyFOQCUXBSLBHBET-UHFFFAOYSA-N
XLogP11.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 175347971
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CID 23171962
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CID 139752074
19-[5-(5-bromopentoxy)pentadecyl]heptatriacontane
CID 177291631
2-docosan-10-yloxyethanol
CID 173141834
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Frequently Asked Questions

What is the IUPAC name of 10-decoxyicosane?
The IUPAC name of 10-decoxyicosane (CID 150196888) is 10-decoxyicosane.
What is the SMILES notation for 10-decoxyicosane?
The canonical SMILES for 10-decoxyicosane is CCCCCCCCCCOC(CCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 10-decoxyicosane?
The InChIKey is FOQCUXBSLBHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-4-7-10-13-16-19-22-25-28-30(27-24-21-18-15-12-9-6-3)31-29-26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3.
What are the key properties of 10-decoxyicosane?
10-decoxyicosane has a molecular weight of 438.83 g/mol, XLogP of 11.18, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-decoxyicosane is sourced from PubChem (CID 150196888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).