(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate

C15H22O3 — CID 68727184

IUPAC(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate
SMILESCC(=O)OC1C=C(C)C(C(C)=O)C2(CCCC2)C1
InChIInChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3
InChIKeyNKDRUBFNJPNRTQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.03
Rot. Bonds2

About (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate

(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate (PubChem CID 68727184) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate.

Molecular Properties

Compound Name(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate
PubChem CID68727184
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate
SMILESCC(=O)OC1C=C(C)C(C(C)=O)C2(CCCC2)C1
InChIInChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3
InChIKeyNKDRUBFNJPNRTQ-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
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 (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate?
The IUPAC name of (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate (CID 68727184) is (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate.
What is the SMILES notation for (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate?
The canonical SMILES for (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate is CC(=O)OC1C=C(C)C(C(C)=O)C2(CCCC2)C1.
What is the InChIKey of (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate?
The InChIKey is NKDRUBFNJPNRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-8-13(18-12(3)17)9-15(6-4-5-7-15)14(10)11(2)16/h8,13-14H,4-7,9H2,1-3H3.
What are the key properties of (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate?
(10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate has a molecular weight of 250.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-acetyl-9-methylspiro[4.5]dec-8-en-7-yl) acetate is sourced from PubChem (CID 68727184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).