(E)-5-methyldodec-3-ene

C13H26 — CID 173194511

IUPAC(E)-5-methyldodec-3-ene
SMILESCC/C=C/C(C)CCCCCCC
InChIInChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h7,11,13H,4-6,8-10,12H2,1-3H3/b11-7+
InChIKeyRLBOTFAZNJKYCB-YRNVUSSQSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About (E)-5-methyldodec-3-ene

(E)-5-methyldodec-3-ene (PubChem CID 173194511) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-5-methyldodec-3-ene.

Molecular Properties

Compound Name(E)-5-methyldodec-3-ene
PubChem CID173194511
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-5-methyldodec-3-ene
SMILESCC/C=C/C(C)CCCCCCC
InChIInChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h7,11,13H,4-6,8-10,12H2,1-3H3/b11-7+
InChIKeyRLBOTFAZNJKYCB-YRNVUSSQSA-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,5S)-5-methylnon-3-ene
CID 101420891
7-methylhexadec-5-ene
CID 150059561
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
(E)-4-methylicos-2-ene
CID 166512402
5,10-dimethylhexadec-8-ene
CID 91557751
5-methyldodec-6-ene
CID 86165480
(2E,15Z)-14-methyloctadeca-2,15-dien-1-ol
CID 5364411
6-but-1-enylundecane
CID 91155625
octadec-3-en-5-ol
CID 144649733
(E)-5-bromododec-3-ene
CID 88753626

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyldodec-3-ene?
The IUPAC name of (E)-5-methyldodec-3-ene (CID 173194511) is (E)-5-methyldodec-3-ene.
What is the SMILES notation for (E)-5-methyldodec-3-ene?
The canonical SMILES for (E)-5-methyldodec-3-ene is CC/C=C/C(C)CCCCCCC.
What is the InChIKey of (E)-5-methyldodec-3-ene?
The InChIKey is RLBOTFAZNJKYCB-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h7,11,13H,4-6,8-10,12H2,1-3H3/b11-7+.
What are the key properties of (E)-5-methyldodec-3-ene?
(E)-5-methyldodec-3-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)-5-methyldodec-3-ene is sourced from PubChem (CID 173194511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).