(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate

C15H28O3 — CID 14473557

IUPAC(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate
SMILESC=C(C)C(O)CC(CCC(C)OC(C)=O)C(C)C
InChIInChI=1S/C15H28O3/c1-10(2)14(9-15(17)11(3)4)8-7-12(5)18-13(6)16/h10,12,14-15,17H,3,7-9H2,1-2,4-6H3
InChIKeyFRFQUAMDNAZCGZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.32
Rot. Bonds8

About (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate

(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate (PubChem CID 14473557) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate.

Molecular Properties

Compound Name(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate
PubChem CID14473557
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate
SMILESC=C(C)C(O)CC(CCC(C)OC(C)=O)C(C)C
InChIInChI=1S/C15H28O3/c1-10(2)14(9-15(17)11(3)4)8-7-12(5)18-13(6)16/h10,12,14-15,17H,3,7-9H2,1-2,4-6H3
InChIKeyFRFQUAMDNAZCGZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate?
The IUPAC name of (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate (CID 14473557) is (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate.
What is the SMILES notation for (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate?
The canonical SMILES for (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate is C=C(C)C(O)CC(CCC(C)OC(C)=O)C(C)C.
What is the InChIKey of (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate?
The InChIKey is FRFQUAMDNAZCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(2)14(9-15(17)11(3)4)8-7-12(5)18-13(6)16/h10,12,14-15,17H,3,7-9H2,1-2,4-6H3.
What are the key properties of (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate?
(7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate has a molecular weight of 256.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-8-methyl-5-propan-2-ylnon-8-en-2-yl) acetate is sourced from PubChem (CID 14473557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).