[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate

C18H30O2 — CID 11140436

IUPAC[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate
SMILESC=C(C)CCC(C/C=C(/C)CCOC(=O)CC)C(=C)C
InChIInChI=1S/C18H30O2/c1-7-18(19)20-13-12-16(6)9-11-17(15(4)5)10-8-14(2)3/h9,17H,2,4,7-8,10-13H2,1,3,5-6H3/b16-9-
InChIKeyUYBNRMWMKVBBTM-SXGWCWSVSA-N
MW278.44 g/mol
LogP5.21
Rot. Bonds10

About [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate

[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate (PubChem CID 11140436) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate.

Molecular Properties

Compound Name[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate
PubChem CID11140436
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate
SMILESC=C(C)CCC(C/C=C(/C)CCOC(=O)CC)C(=C)C
InChIInChI=1S/C18H30O2/c1-7-18(19)20-13-12-16(6)9-11-17(15(4)5)10-8-14(2)3/h9,17H,2,4,7-8,10-13H2,1,3,5-6H3/b16-9-
InChIKeyUYBNRMWMKVBBTM-SXGWCWSVSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate?
The IUPAC name of [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate (CID 11140436) is [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate.
What is the SMILES notation for [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate?
The canonical SMILES for [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate is C=C(C)CCC(C/C=C(/C)CCOC(=O)CC)C(=C)C.
What is the InChIKey of [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate?
The InChIKey is UYBNRMWMKVBBTM-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-18(19)20-13-12-16(6)9-11-17(15(4)5)10-8-14(2)3/h9,17H,2,4,7-8,10-13H2,1,3,5-6H3/b16-9-.
What are the key properties of [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate?
[(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate has a molecular weight of 278.44 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dienyl] propanoate is sourced from PubChem (CID 11140436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).