1-chloro-11,11-dimethoxyundec-4-ene

C13H25ClO2 — CID 165174939

IUPAC1-chloro-11,11-dimethoxyundec-4-ene
SMILESCOC(CCCCCC=CCCCCl)OC
InChIInChI=1S/C13H25ClO2/c1-15-13(16-2)11-9-7-5-3-4-6-8-10-12-14/h4,6,13H,3,5,7-12H2,1-2H3
InChIKeyXIHIEOCQMRVBPK-UHFFFAOYSA-N
MW248.79 g/mol
LogP4.13
Rot. Bonds11

About 1-chloro-11,11-dimethoxyundec-4-ene

1-chloro-11,11-dimethoxyundec-4-ene (PubChem CID 165174939) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 1-chloro-11,11-dimethoxyundec-4-ene.

Molecular Properties

Compound Name1-chloro-11,11-dimethoxyundec-4-ene
PubChem CID165174939
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name1-chloro-11,11-dimethoxyundec-4-ene
SMILESCOC(CCCCCC=CCCCCl)OC
InChIInChI=1S/C13H25ClO2/c1-15-13(16-2)11-9-7-5-3-4-6-8-10-12-14/h4,6,13H,3,5,7-12H2,1-2H3
InChIKeyXIHIEOCQMRVBPK-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-chloro-9,9-dimethoxynon-3-ene
CID 163205549
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
(E)-1-iodo-15,15-dimethoxypentadec-3-ene
CID 163205538
(E)-17,17-dimethoxyheptadec-3-en-1-ol
CID 163205461
(Z)-1-bromo-18,18-dimethoxyoctadec-3-ene
CID 163205986
(E)-1-bromo-16,16-dimethoxyhexadec-3-ene
CID 163205542
12,12-dimethoxydodeca-3,5-diene
CID 168861657
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378

Frequently Asked Questions

What is the IUPAC name of 1-chloro-11,11-dimethoxyundec-4-ene?
The IUPAC name of 1-chloro-11,11-dimethoxyundec-4-ene (CID 165174939) is 1-chloro-11,11-dimethoxyundec-4-ene.
What is the SMILES notation for 1-chloro-11,11-dimethoxyundec-4-ene?
The canonical SMILES for 1-chloro-11,11-dimethoxyundec-4-ene is COC(CCCCCC=CCCCCl)OC.
What is the InChIKey of 1-chloro-11,11-dimethoxyundec-4-ene?
The InChIKey is XIHIEOCQMRVBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-15-13(16-2)11-9-7-5-3-4-6-8-10-12-14/h4,6,13H,3,5,7-12H2,1-2H3.
What are the key properties of 1-chloro-11,11-dimethoxyundec-4-ene?
1-chloro-11,11-dimethoxyundec-4-ene has a molecular weight of 248.79 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-11,11-dimethoxyundec-4-ene is sourced from PubChem (CID 165174939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).