methyl 5,9-dimethyldeca-3,8-dienoate

C13H22O2 — CID 71334771

IUPACmethyl 5,9-dimethyldeca-3,8-dienoate
SMILESCOC(=O)CC=CC(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-13(14)15-4/h6-7,9,12H,5,8,10H2,1-4H3
InChIKeyRBUPBHOPBGTHRW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.49
Rot. Bonds6

About methyl 5,9-dimethyldeca-3,8-dienoate

methyl 5,9-dimethyldeca-3,8-dienoate (PubChem CID 71334771) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl 5,9-dimethyldeca-3,8-dienoate.

Molecular Properties

Compound Namemethyl 5,9-dimethyldeca-3,8-dienoate
PubChem CID71334771
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl 5,9-dimethyldeca-3,8-dienoate
SMILESCOC(=O)CC=CC(C)CCC=C(C)C
InChIInChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-13(14)15-4/h6-7,9,12H,5,8,10H2,1-4H3
InChIKeyRBUPBHOPBGTHRW-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 117268010
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
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CID 154265835
methyl 5-methylhex-4-enoate
CID 10909672
2,6-dimethylhept-5-enal
CID 158364508
dimethyl 2-(4-methylpent-3-enyl)propanedioate
CID 71348601
methyl 5-methylsulfonylhex-3-enoate
CID 175919931
methyl (E,5R)-5-nitrohex-3-enoate
CID 10725880
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
CID 24853912
methyl 13-methyltetradec-12-enoate
CID 24973726
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
methyl 4-methoxypent-3-enoate
CID 131857194

Frequently Asked Questions

What is the IUPAC name of methyl 5,9-dimethyldeca-3,8-dienoate?
The IUPAC name of methyl 5,9-dimethyldeca-3,8-dienoate (CID 71334771) is methyl 5,9-dimethyldeca-3,8-dienoate.
What is the SMILES notation for methyl 5,9-dimethyldeca-3,8-dienoate?
The canonical SMILES for methyl 5,9-dimethyldeca-3,8-dienoate is COC(=O)CC=CC(C)CCC=C(C)C.
What is the InChIKey of methyl 5,9-dimethyldeca-3,8-dienoate?
The InChIKey is RBUPBHOPBGTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)7-5-8-12(3)9-6-10-13(14)15-4/h6-7,9,12H,5,8,10H2,1-4H3.
What are the key properties of methyl 5,9-dimethyldeca-3,8-dienoate?
methyl 5,9-dimethyldeca-3,8-dienoate has a molecular weight of 210.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,9-dimethyldeca-3,8-dienoate is sourced from PubChem (CID 71334771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).