1-decoxydecane;hydrochloride

C20H43ClO — CID 172747457

IUPAC1-decoxydecane;hydrochloride
SMILESCCCCCCCCCCOCCCCCCCCCC.Cl
InChIInChI=1S/C20H42O.ClH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H
InChIKeyJXMUPZFXNZUIIQ-UHFFFAOYSA-N
MW335.02 g/mol
LogP7.71
Rot. Bonds18

About 1-decoxydecane;hydrochloride

1-decoxydecane;hydrochloride (PubChem CID 172747457) has the molecular formula C20H43ClO and a molecular weight of 335.02 g/mol. Its IUPAC name is 1-decoxydecane;hydrochloride.

Molecular Properties

Compound Name1-decoxydecane;hydrochloride
PubChem CID172747457
Molecular FormulaC20H43ClO
Molecular Weight335.02 g/mol
Exact Mass334.30
IUPAC Name1-decoxydecane;hydrochloride
SMILESCCCCCCCCCCOCCCCCCCCCC.Cl
InChIInChI=1S/C20H42O.ClH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H
InChIKeyJXMUPZFXNZUIIQ-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 57.71
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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1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-hexoxyhexane;yttrium
CID 87066735
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-decoxydecane;hydrochloride?
The IUPAC name of 1-decoxydecane;hydrochloride (CID 172747457) is 1-decoxydecane;hydrochloride.
What is the SMILES notation for 1-decoxydecane;hydrochloride?
The canonical SMILES for 1-decoxydecane;hydrochloride is CCCCCCCCCCOCCCCCCCCCC.Cl.
What is the InChIKey of 1-decoxydecane;hydrochloride?
The InChIKey is JXMUPZFXNZUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.ClH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H.
What are the key properties of 1-decoxydecane;hydrochloride?
1-decoxydecane;hydrochloride has a molecular weight of 335.02 g/mol, XLogP of 7.71, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxydecane;hydrochloride is sourced from PubChem (CID 172747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).