(E)-11-methyldodec-2-ene

C13H26 — CID 134687647

IUPAC(E)-11-methyldodec-2-ene
SMILESC/C=C/CCCCCCCC(C)C
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-5,13H,6-12H2,1-3H3/b5-4+
InChIKeyNDYAOKJSDZFRBX-SNAWJCMRSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About (E)-11-methyldodec-2-ene

(E)-11-methyldodec-2-ene (PubChem CID 134687647) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-11-methyldodec-2-ene.

Molecular Properties

Compound Name(E)-11-methyldodec-2-ene
PubChem CID134687647
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-11-methyldodec-2-ene
SMILESC/C=C/CCCCCCCC(C)C
InChIInChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-5,13H,6-12H2,1-3H3/b5-4+
InChIKeyNDYAOKJSDZFRBX-SNAWJCMRSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(2Z,5Z)-12-methyltrideca-2,5-diene
CID 171755800
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-9-fluorodec-2-ene
CID 22172002
(E)-9-iododec-2-ene
CID 22171957
(E)-2,11-dimethyldodec-5-ene
CID 168834978
2-methylhenicos-9-ene
CID 54211724

Frequently Asked Questions

What is the IUPAC name of (E)-11-methyldodec-2-ene?
The IUPAC name of (E)-11-methyldodec-2-ene (CID 134687647) is (E)-11-methyldodec-2-ene.
What is the SMILES notation for (E)-11-methyldodec-2-ene?
The canonical SMILES for (E)-11-methyldodec-2-ene is C/C=C/CCCCCCCC(C)C.
What is the InChIKey of (E)-11-methyldodec-2-ene?
The InChIKey is NDYAOKJSDZFRBX-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-5,13H,6-12H2,1-3H3/b5-4+.
What are the key properties of (E)-11-methyldodec-2-ene?
(E)-11-methyldodec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-methyldodec-2-ene is sourced from PubChem (CID 134687647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).