5,9-dimethyldeca-3,8-dien-5-yl acetate

C14H24O2 — CID 167443273

IUPAC5,9-dimethyldeca-3,8-dien-5-yl acetate
SMILESCCC=CC(C)(CCC=C(C)C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-6-7-10-14(5,16-13(4)15)11-8-9-12(2)3/h7,9-10H,6,8,11H2,1-5H3
InChIKeyWLIDTVUBUXCSEO-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds6

About 5,9-dimethyldeca-3,8-dien-5-yl acetate

5,9-dimethyldeca-3,8-dien-5-yl acetate (PubChem CID 167443273) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5,9-dimethyldeca-3,8-dien-5-yl acetate.

Molecular Properties

Compound Name5,9-dimethyldeca-3,8-dien-5-yl acetate
PubChem CID167443273
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5,9-dimethyldeca-3,8-dien-5-yl acetate
SMILESCCC=CC(C)(CCC=C(C)C)OC(C)=O
InChIInChI=1S/C14H24O2/c1-6-7-10-14(5,16-13(4)15)11-8-9-12(2)3/h7,9-10H,6,8,11H2,1-5H3
InChIKeyWLIDTVUBUXCSEO-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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

acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
(4-tert-butylcyclohexyl) acetate;3,7-dimethylocta-1,6-dien-3-yl acetate
CID 69389198
[(2R)-2-methyl-1-oxohex-5-en-2-yl] acetate
CID 11829866
3-O-(3,7-dimethylocta-1,6-dien-3-yl) 1-O-methyl propanedioate
CID 564469
3-methylnon-6-en-3-yl acetate
CID 131887994
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
3,7-dimethylocta-1,6-dien-3-yl 3,4,4-trichlorobut-3-enoate
CID 71378030
3,7-dimethylocta-1,6-dien-3-yl 4,8-dioxodecanoate
CID 87885017
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 25021984
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
CID 52929830

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyldeca-3,8-dien-5-yl acetate?
The IUPAC name of 5,9-dimethyldeca-3,8-dien-5-yl acetate (CID 167443273) is 5,9-dimethyldeca-3,8-dien-5-yl acetate.
What is the SMILES notation for 5,9-dimethyldeca-3,8-dien-5-yl acetate?
The canonical SMILES for 5,9-dimethyldeca-3,8-dien-5-yl acetate is CCC=CC(C)(CCC=C(C)C)OC(C)=O.
What is the InChIKey of 5,9-dimethyldeca-3,8-dien-5-yl acetate?
The InChIKey is WLIDTVUBUXCSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-7-10-14(5,16-13(4)15)11-8-9-12(2)3/h7,9-10H,6,8,11H2,1-5H3.
What are the key properties of 5,9-dimethyldeca-3,8-dien-5-yl acetate?
5,9-dimethyldeca-3,8-dien-5-yl acetate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyldeca-3,8-dien-5-yl acetate is sourced from PubChem (CID 167443273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).