methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate

C13H22O3 — CID 11680207

IUPACmethyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
SMILESCOC(=O)CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H22O3/c1-11(7-8-13(15)16-3)5-4-6-12(2)9-10-14/h5,9,14H,4,6-8,10H2,1-3H3/b11-5+,12-9+
InChIKeyFGVUPSACBQEUNT-HQOQYNLBSA-N
MW226.32 g/mol
LogP2.60
Rot. Bonds7

About methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate

methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate (PubChem CID 11680207) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate.

Molecular Properties

Compound Namemethyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
PubChem CID11680207
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Namemethyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
SMILESCOC(=O)CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C13H22O3/c1-11(7-8-13(15)16-3)5-4-6-12(2)9-10-14/h5,9,14H,4,6-8,10H2,1-3H3/b11-5+,12-9+
InChIKeyFGVUPSACBQEUNT-HQOQYNLBSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl 4-methylnona-4,8-dienoate
CID 71333092
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(2E,6E,10E,14E)-16-methoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 101334323
(6E,10Z)-12-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-3-one
CID 86742985
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
methyl (5E,9E,13E)-5,9,13-trimethyloctadeca-5,9,13,17-tetraenoate
CID 10544590
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
methyl 4-methylocta-4,7-dienoate
CID 54283285

Frequently Asked Questions

What is the IUPAC name of methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate?
The IUPAC name of methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate (CID 11680207) is methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate.
What is the SMILES notation for methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate?
The canonical SMILES for methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate is COC(=O)CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate?
The InChIKey is FGVUPSACBQEUNT-HQOQYNLBSA-N. The full InChI is InChI=1S/C13H22O3/c1-11(7-8-13(15)16-3)5-4-6-12(2)9-10-14/h5,9,14H,4,6-8,10H2,1-3H3/b11-5+,12-9+.
What are the key properties of methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate?
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate has a molecular weight of 226.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate is sourced from PubChem (CID 11680207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).