[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate

C18H30O4 — CID 146162390

IUPAC[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate
SMILESCC(=O)O/C(=C\C=C(\CCC(C)C)OC(C)=O)CCC(C)C
InChIInChI=1S/C18H30O4/c1-13(2)7-9-17(21-15(5)19)11-12-18(22-16(6)20)10-8-14(3)4/h11-14H,7-10H2,1-6H3/b17-11-,18-12-
InChIKeyPIIDJACAPWYNEU-WHYMJUELSA-N
MW310.43 g/mol
LogP4.75
Rot. Bonds9

About [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate

[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate (PubChem CID 146162390) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate.

Molecular Properties

Compound Name[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate
PubChem CID146162390
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate
SMILESCC(=O)O/C(=C\C=C(\CCC(C)C)OC(C)=O)CCC(C)C
InChIInChI=1S/C18H30O4/c1-13(2)7-9-17(21-15(5)19)11-12-18(22-16(6)20)10-8-14(3)4/h11-14H,7-10H2,1-6H3/b17-11-,18-12-
InChIKeyPIIDJACAPWYNEU-WHYMJUELSA-N
XLogP4.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate?
The IUPAC name of [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate (CID 146162390) is [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate.
What is the SMILES notation for [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate?
The canonical SMILES for [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate is CC(=O)O/C(=C\C=C(\CCC(C)C)OC(C)=O)CCC(C)C.
What is the InChIKey of [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate?
The InChIKey is PIIDJACAPWYNEU-WHYMJUELSA-N. The full InChI is InChI=1S/C18H30O4/c1-13(2)7-9-17(21-15(5)19)11-12-18(22-16(6)20)10-8-14(3)4/h11-14H,7-10H2,1-6H3/b17-11-,18-12-.
What are the key properties of [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate?
[(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate has a molecular weight of 310.43 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,7Z)-8-acetyloxy-2,11-dimethyldodeca-5,7-dien-5-yl] acetate is sourced from PubChem (CID 146162390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).