11-tetradecoxytridecane-1,2-diol

C27H56O3 — CID 87328818

IUPAC11-tetradecoxytridecane-1,2-diol
SMILESCCCCCCCCCCCCCCOC(CC)CCCCCCCCC(O)CO
InChIInChI=1S/C27H56O3/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-30-27(4-2)23-20-17-14-13-16-19-22-26(29)25-28/h26-29H,3-25H2,1-2H3
InChIKeyUTZZYLUSYOZYFX-UHFFFAOYSA-N
MW428.74 g/mol
LogP7.96
Rot. Bonds25

About 11-tetradecoxytridecane-1,2-diol

11-tetradecoxytridecane-1,2-diol (PubChem CID 87328818) has the molecular formula C27H56O3 and a molecular weight of 428.74 g/mol. Its IUPAC name is 11-tetradecoxytridecane-1,2-diol.

Molecular Properties

Compound Name11-tetradecoxytridecane-1,2-diol
PubChem CID87328818
Molecular FormulaC27H56O3
Molecular Weight428.74 g/mol
Exact Mass428.42
IUPAC Name11-tetradecoxytridecane-1,2-diol
SMILESCCCCCCCCCCCCCCOC(CC)CCCCCCCCC(O)CO
InChIInChI=1S/C27H56O3/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-30-27(4-2)23-20-17-14-13-16-19-22-26(29)25-28/h26-29H,3-25H2,1-2H3
InChIKeyUTZZYLUSYOZYFX-UHFFFAOYSA-N
XLogP7.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.74
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecoxydecan-1-ol
CID 155667265
3-nonoxypentan-1-ol
CID 141114457
3,7-didodecoxydodecane
CID 123502949
2-dodecoxytridecan-1-ol
CID 23171962
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
octane-1,2-diol
CID 159791136
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
(2R)-nonadecane-1,2-diol
CID 124511707
tricosane-1,2-diol
CID 42607324
CID 158891282
CID 158891282

Frequently Asked Questions

What is the IUPAC name of 11-tetradecoxytridecane-1,2-diol?
The IUPAC name of 11-tetradecoxytridecane-1,2-diol (CID 87328818) is 11-tetradecoxytridecane-1,2-diol.
What is the SMILES notation for 11-tetradecoxytridecane-1,2-diol?
The canonical SMILES for 11-tetradecoxytridecane-1,2-diol is CCCCCCCCCCCCCCOC(CC)CCCCCCCCC(O)CO.
What is the InChIKey of 11-tetradecoxytridecane-1,2-diol?
The InChIKey is UTZZYLUSYOZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O3/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-30-27(4-2)23-20-17-14-13-16-19-22-26(29)25-28/h26-29H,3-25H2,1-2H3.
What are the key properties of 11-tetradecoxytridecane-1,2-diol?
11-tetradecoxytridecane-1,2-diol has a molecular weight of 428.74 g/mol, XLogP of 7.96, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tetradecoxytridecane-1,2-diol is sourced from PubChem (CID 87328818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).