(Z)-1-chloro-9,9-dimethoxynon-3-ene

C11H21ClO2 — CID 163205549

IUPAC(Z)-1-chloro-9,9-dimethoxynon-3-ene
SMILESCOC(CCCC/C=C\CCCl)OC
InChIInChI=1S/C11H21ClO2/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyMVCXNUJFIHUOIF-XQRVVYSFSA-N
MW220.74 g/mol
LogP3.35
Rot. Bonds9

About (Z)-1-chloro-9,9-dimethoxynon-3-ene

(Z)-1-chloro-9,9-dimethoxynon-3-ene (PubChem CID 163205549) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is (Z)-1-chloro-9,9-dimethoxynon-3-ene.

Molecular Properties

Compound Name(Z)-1-chloro-9,9-dimethoxynon-3-ene
PubChem CID163205549
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name(Z)-1-chloro-9,9-dimethoxynon-3-ene
SMILESCOC(CCCC/C=C\CCCl)OC
InChIInChI=1S/C11H21ClO2/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyMVCXNUJFIHUOIF-XQRVVYSFSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.35
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

1-chloro-11,11-dimethoxyundec-4-ene
CID 165174939
(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
15,15-dimethoxypentadeca-3,5-diene
CID 168861653
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(Z)-6-chloro-1,1-dimethoxyhex-3-ene
CID 163205427

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-9,9-dimethoxynon-3-ene?
The IUPAC name of (Z)-1-chloro-9,9-dimethoxynon-3-ene (CID 163205549) is (Z)-1-chloro-9,9-dimethoxynon-3-ene.
What is the SMILES notation for (Z)-1-chloro-9,9-dimethoxynon-3-ene?
The canonical SMILES for (Z)-1-chloro-9,9-dimethoxynon-3-ene is COC(CCCC/C=C\CCCl)OC.
What is the InChIKey of (Z)-1-chloro-9,9-dimethoxynon-3-ene?
The InChIKey is MVCXNUJFIHUOIF-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h4,6,11H,3,5,7-10H2,1-2H3/b6-4-.
What are the key properties of (Z)-1-chloro-9,9-dimethoxynon-3-ene?
(Z)-1-chloro-9,9-dimethoxynon-3-ene has a molecular weight of 220.74 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-9,9-dimethoxynon-3-ene is sourced from PubChem (CID 163205549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).