10-hexoxy-oxacyclotetradecan-3-ol

C19H38O3 — CID 173215494

IUPAC10-hexoxy-oxacyclotetradecan-3-ol
SMILESCCCCCCOC1CCCCCCC(O)COCCCC1
InChIInChI=1S/C19H38O3/c1-2-3-4-10-16-22-19-13-8-6-5-7-12-18(20)17-21-15-11-9-14-19/h18-20H,2-17H2,1H3
InChIKeyJNCVPCFZWGZJCO-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.85
Rot. Bonds6

About 10-hexoxy-oxacyclotetradecan-3-ol

10-hexoxy-oxacyclotetradecan-3-ol (PubChem CID 173215494) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 10-hexoxy-oxacyclotetradecan-3-ol.

Molecular Properties

Compound Name10-hexoxy-oxacyclotetradecan-3-ol
PubChem CID173215494
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name10-hexoxy-oxacyclotetradecan-3-ol
SMILESCCCCCCOC1CCCCCCC(O)COCCCC1
InChIInChI=1S/C19H38O3/c1-2-3-4-10-16-22-19-13-8-6-5-7-12-18(20)17-21-15-11-9-14-19/h18-20H,2-17H2,1H3
InChIKeyJNCVPCFZWGZJCO-UHFFFAOYSA-N
XLogP4.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-hexoxy-oxacyclotetradecan-3-ol?
The IUPAC name of 10-hexoxy-oxacyclotetradecan-3-ol (CID 173215494) is 10-hexoxy-oxacyclotetradecan-3-ol.
What is the SMILES notation for 10-hexoxy-oxacyclotetradecan-3-ol?
The canonical SMILES for 10-hexoxy-oxacyclotetradecan-3-ol is CCCCCCOC1CCCCCCC(O)COCCCC1.
What is the InChIKey of 10-hexoxy-oxacyclotetradecan-3-ol?
The InChIKey is JNCVPCFZWGZJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-2-3-4-10-16-22-19-13-8-6-5-7-12-18(20)17-21-15-11-9-14-19/h18-20H,2-17H2,1H3.
What are the key properties of 10-hexoxy-oxacyclotetradecan-3-ol?
10-hexoxy-oxacyclotetradecan-3-ol has a molecular weight of 314.51 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hexoxy-oxacyclotetradecan-3-ol is sourced from PubChem (CID 173215494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).