[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate

C17H30O2 — CID 11108311

IUPAC[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate
SMILESCC(=O)OCC[C@@H](C)C/C=C(/CC=C(C)C)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)7-9-17(14(3)4)10-8-15(5)11-12-19-16(6)18/h7,10,14-15H,8-9,11-12H2,1-6H3/b17-10-/t15-/m0/s1
InChIKeyKFYQBHRHQJZQQS-HAKPAVFJSA-N
MW266.42 g/mol
LogP4.90
Rot. Bonds8

About [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate

[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate (PubChem CID 11108311) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate.

Molecular Properties

Compound Name[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate
PubChem CID11108311
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate
SMILESCC(=O)OCC[C@@H](C)C/C=C(/CC=C(C)C)C(C)C
InChIInChI=1S/C17H30O2/c1-13(2)7-9-17(14(3)4)10-8-15(5)11-12-19-16(6)18/h7,10,14-15H,8-9,11-12H2,1-6H3/b17-10-/t15-/m0/s1
InChIKeyKFYQBHRHQJZQQS-HAKPAVFJSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.90
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 [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate?
The IUPAC name of [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate (CID 11108311) is [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate.
What is the SMILES notation for [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate?
The canonical SMILES for [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate is CC(=O)OCC[C@@H](C)C/C=C(/CC=C(C)C)C(C)C.
What is the InChIKey of [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate?
The InChIKey is KFYQBHRHQJZQQS-HAKPAVFJSA-N. The full InChI is InChI=1S/C17H30O2/c1-13(2)7-9-17(14(3)4)10-8-15(5)11-12-19-16(6)18/h7,10,14-15H,8-9,11-12H2,1-6H3/b17-10-/t15-/m0/s1.
What are the key properties of [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate?
[(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate has a molecular weight of 266.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5Z)-3,9-dimethyl-6-propan-2-yldeca-5,8-dienyl] acetate is sourced from PubChem (CID 11108311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).