2-dodecoxytridecan-1-ol

C25H52O2 — CID 23171962

IUPAC2-dodecoxytridecan-1-ol
SMILESCCCCCCCCCCCCOC(CO)CCCCCCCCCCC
InChIInChI=1S/C25H52O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(24-26)22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyGEUVWZUPRZLUTG-UHFFFAOYSA-N
MW384.69 g/mol
LogP8.21
Rot. Bonds23

About 2-dodecoxytridecan-1-ol

2-dodecoxytridecan-1-ol (PubChem CID 23171962) has the molecular formula C25H52O2 and a molecular weight of 384.69 g/mol. Its IUPAC name is 2-dodecoxytridecan-1-ol.

Molecular Properties

Compound Name2-dodecoxytridecan-1-ol
PubChem CID23171962
Molecular FormulaC25H52O2
Molecular Weight384.69 g/mol
Exact Mass384.40
IUPAC Name2-dodecoxytridecan-1-ol
SMILESCCCCCCCCCCCCOC(CO)CCCCCCCCCCC
InChIInChI=1S/C25H52O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(24-26)22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyGEUVWZUPRZLUTG-UHFFFAOYSA-N
XLogP8.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-hexadecoxypropane-1,3-diol
CID 12924931
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
5-docosan-5-yloxypentan-1-ol
CID 139884775
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
3-(3-hydroxy-2-octadecoxypropoxy)-2-octadecoxypropan-1-ol
CID 25022460
11-tetradecoxytridecane-1,2-diol
CID 87328818
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxytridecan-1-ol?
The IUPAC name of 2-dodecoxytridecan-1-ol (CID 23171962) is 2-dodecoxytridecan-1-ol.
What is the SMILES notation for 2-dodecoxytridecan-1-ol?
The canonical SMILES for 2-dodecoxytridecan-1-ol is CCCCCCCCCCCCOC(CO)CCCCCCCCCCC.
What is the InChIKey of 2-dodecoxytridecan-1-ol?
The InChIKey is GEUVWZUPRZLUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(24-26)22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3.
What are the key properties of 2-dodecoxytridecan-1-ol?
2-dodecoxytridecan-1-ol has a molecular weight of 384.69 g/mol, XLogP of 8.21, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxytridecan-1-ol is sourced from PubChem (CID 23171962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).