[(E)-4-methylidenedodec-5-enyl] acetate

C15H26O2 — CID 101251322

IUPAC[(E)-4-methylidenedodec-5-enyl] acetate
SMILESC=C(/C=C/CCCCCC)CCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-11-14(2)12-10-13-17-15(3)16/h9,11H,2,4-8,10,12-13H2,1,3H3/b11-9+
InChIKeyHVNOITZOBIKWLK-PKNBQFBNSA-N
MW238.37 g/mol
LogP4.41
Rot. Bonds10

About [(E)-4-methylidenedodec-5-enyl] acetate

[(E)-4-methylidenedodec-5-enyl] acetate (PubChem CID 101251322) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(E)-4-methylidenedodec-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-methylidenedodec-5-enyl] acetate
PubChem CID101251322
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(E)-4-methylidenedodec-5-enyl] acetate
SMILESC=C(/C=C/CCCCCC)CCCOC(C)=O
InChIInChI=1S/C15H26O2/c1-4-5-6-7-8-9-11-14(2)12-10-13-17-15(3)16/h9,11H,2,4-8,10,12-13H2,1,3H3/b11-9+
InChIKeyHVNOITZOBIKWLK-PKNBQFBNSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-Tridecen-1-yl acetate, (4E)-
CID 5365748
Prodlure
CID 6441057
(Z)-7-dodecenyl acetate
CID 5363527
6-Nonenyl acetate, (6Z)-
CID 5363389
4-Decenyl acetate, (4Z)-
CID 5352830
5-Octenyl acetate, (5Z)-
CID 5352838
(E)-5-Decenyl acetate
CID 5363095
8-Dodecenyl acetate, (8E)-
CID 5363237
8-Dodecen-1-ol, 1-acetate, (8Z)-
CID 5363377
9-Dodecenyl acetate, (9Z)-
CID 5363405
4-Tridecen-1-yl acetate, (4Z)-
CID 5365747
7,9-Dodecadienyl acetate, (7E,9Z)-
CID 1794807

Frequently Asked Questions

What is the IUPAC name of [(E)-4-methylidenedodec-5-enyl] acetate?
The IUPAC name of [(E)-4-methylidenedodec-5-enyl] acetate (CID 101251322) is [(E)-4-methylidenedodec-5-enyl] acetate.
What is the SMILES notation for [(E)-4-methylidenedodec-5-enyl] acetate?
The canonical SMILES for [(E)-4-methylidenedodec-5-enyl] acetate is C=C(/C=C/CCCCCC)CCCOC(C)=O.
What is the InChIKey of [(E)-4-methylidenedodec-5-enyl] acetate?
The InChIKey is HVNOITZOBIKWLK-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-5-6-7-8-9-11-14(2)12-10-13-17-15(3)16/h9,11H,2,4-8,10,12-13H2,1,3H3/b11-9+.
What are the key properties of [(E)-4-methylidenedodec-5-enyl] acetate?
[(E)-4-methylidenedodec-5-enyl] acetate has a molecular weight of 238.37 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methylidenedodec-5-enyl] acetate is sourced from PubChem (CID 101251322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).