3-methylidenetridec-1-ene

C14H26 — CID 3776253

IUPAC3-methylidenetridec-1-ene
SMILESC=CC(=C)CCCCCCCCCC
InChIInChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,2-4,6-13H2,1H3
InChIKeyKJBBCALDDPYKRJ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.26
Rot. Bonds10

About 3-methylidenetridec-1-ene

3-methylidenetridec-1-ene (PubChem CID 3776253) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-methylidenetridec-1-ene.

Molecular Properties

Compound Name3-methylidenetridec-1-ene
PubChem CID3776253
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-methylidenetridec-1-ene
SMILESC=CC(=C)CCCCCCCCCC
InChIInChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,2-4,6-13H2,1H3
InChIKeyKJBBCALDDPYKRJ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.26
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

(E)-4-methylideneundec-2-ene
CID 13425645
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439
(E)-6-methylidenetetradec-7-ene
CID 101198488
6-methylidenedodecane
CID 21453027
henicos-1-en-2-ol
CID 90735098
6-methylidenetetradecane
CID 21477883
3-ethylideneoct-1-ene
CID 91511297
ethenol;heptadecane
CID 158851930
9,10-dioctyloctadec-9-ene
CID 10814462

Frequently Asked Questions

What is the IUPAC name of 3-methylidenetridec-1-ene?
The IUPAC name of 3-methylidenetridec-1-ene (CID 3776253) is 3-methylidenetridec-1-ene.
What is the SMILES notation for 3-methylidenetridec-1-ene?
The canonical SMILES for 3-methylidenetridec-1-ene is C=CC(=C)CCCCCCCCCC.
What is the InChIKey of 3-methylidenetridec-1-ene?
The InChIKey is KJBBCALDDPYKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-4-6-7-8-9-10-11-12-13-14(3)5-2/h5H,2-4,6-13H2,1H3.
What are the key properties of 3-methylidenetridec-1-ene?
3-methylidenetridec-1-ene has a molecular weight of 194.36 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenetridec-1-ene is sourced from PubChem (CID 3776253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).