(E)-11-chloro-1-(methoxymethoxy)undec-3-ene

C13H25ClO2 — CID 163205102

IUPAC(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
SMILESCOCOCC/C=C/CCCCCCCCl
InChIInChI=1S/C13H25ClO2/c1-15-13-16-12-10-8-6-4-2-3-5-7-9-11-14/h6,8H,2-5,7,9-13H2,1H3/b8-6+
InChIKeyHLMMFKYBWYQEPN-SOFGYWHQSA-N
MW248.79 g/mol
LogP4.13
Rot. Bonds12

About (E)-11-chloro-1-(methoxymethoxy)undec-3-ene

(E)-11-chloro-1-(methoxymethoxy)undec-3-ene (PubChem CID 163205102) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is (E)-11-chloro-1-(methoxymethoxy)undec-3-ene.

Molecular Properties

Compound Name(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
PubChem CID163205102
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name(E)-11-chloro-1-(methoxymethoxy)undec-3-ene
SMILESCOCOCC/C=C/CCCCCCCCl
InChIInChI=1S/C13H25ClO2/c1-15-13-16-12-10-8-6-4-2-3-5-7-9-11-14/h6,8H,2-5,7,9-13H2,1H3/b8-6+
InChIKeyHLMMFKYBWYQEPN-SOFGYWHQSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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

(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509
1-(methoxymethoxy)dodeca-3,5-diene
CID 76697510
1,17-dichloroheptadec-8-ene
CID 168864753
(E)-1,10-dichlorodec-5-ene
CID 12889943
5-(methoxymethoxy)pent-2-ene
CID 151649835
(E)-1-chloroheptadec-7-ene
CID 5364485
(Z)-10-chlorodec-4-ene
CID 14373086
1-chlorooctadec-9-ene
CID 558046
1-chloro-6-(6-chlorohex-3-enoxymethoxymethoxy)hex-3-ene
CID 175229318
(Z)-1-chloro-6-[[(Z)-6-chlorohex-3-enoxy]methoxymethoxy]hex-3-ene
CID 175229333
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
1,12-dichlorododec-2-ene
CID 171472140

Frequently Asked Questions

What is the IUPAC name of (E)-11-chloro-1-(methoxymethoxy)undec-3-ene?
The IUPAC name of (E)-11-chloro-1-(methoxymethoxy)undec-3-ene (CID 163205102) is (E)-11-chloro-1-(methoxymethoxy)undec-3-ene.
What is the SMILES notation for (E)-11-chloro-1-(methoxymethoxy)undec-3-ene?
The canonical SMILES for (E)-11-chloro-1-(methoxymethoxy)undec-3-ene is COCOCC/C=C/CCCCCCCCl.
What is the InChIKey of (E)-11-chloro-1-(methoxymethoxy)undec-3-ene?
The InChIKey is HLMMFKYBWYQEPN-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-15-13-16-12-10-8-6-4-2-3-5-7-9-11-14/h6,8H,2-5,7,9-13H2,1H3/b8-6+.
What are the key properties of (E)-11-chloro-1-(methoxymethoxy)undec-3-ene?
(E)-11-chloro-1-(methoxymethoxy)undec-3-ene has a molecular weight of 248.79 g/mol, XLogP of 4.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-chloro-1-(methoxymethoxy)undec-3-ene is sourced from PubChem (CID 163205102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).