(E)-4-methylideneundec-2-ene

C12H22 — CID 13425645

IUPAC(E)-4-methylideneundec-2-ene
SMILESC=C(/C=C/C)CCCCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,10H,3-4,6-9,11H2,1-2H3/b10-5+
InChIKeyNBUDERVWLDDFBZ-BJMVGYQFSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (E)-4-methylideneundec-2-ene

(E)-4-methylideneundec-2-ene (PubChem CID 13425645) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (E)-4-methylideneundec-2-ene.

Molecular Properties

Compound Name(E)-4-methylideneundec-2-ene
PubChem CID13425645
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(E)-4-methylideneundec-2-ene
SMILESC=C(/C=C/C)CCCCCCC
InChIInChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,10H,3-4,6-9,11H2,1-2H3/b10-5+
InChIKeyNBUDERVWLDDFBZ-BJMVGYQFSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439
(E)-6-methylidenetetradec-7-ene
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(E)-4-methylideneoctadec-2-enoic acid
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3-methylidenetridec-1-ene
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(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
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(Z)-4-methylidenenon-2-en-1-amine
CID 129022614
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
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Frequently Asked Questions

What is the IUPAC name of (E)-4-methylideneundec-2-ene?
The IUPAC name of (E)-4-methylideneundec-2-ene (CID 13425645) is (E)-4-methylideneundec-2-ene.
What is the SMILES notation for (E)-4-methylideneundec-2-ene?
The canonical SMILES for (E)-4-methylideneundec-2-ene is C=C(/C=C/C)CCCCCCC.
What is the InChIKey of (E)-4-methylideneundec-2-ene?
The InChIKey is NBUDERVWLDDFBZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-7-8-9-11-12(3)10-5-2/h5,10H,3-4,6-9,11H2,1-2H3/b10-5+.
What are the key properties of (E)-4-methylideneundec-2-ene?
(E)-4-methylideneundec-2-ene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylideneundec-2-ene is sourced from PubChem (CID 13425645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).