3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one

C15H22O2 — CID 68727299

IUPAC3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one
SMILESCC1=CC=CC2(CCCC2)C1C(=O)CC(C)O
InChIInChI=1S/C15H22O2/c1-11-6-5-9-15(7-3-4-8-15)14(11)13(17)10-12(2)16/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyCQHUAVMEPBJXKK-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds3

About 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one

3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one (PubChem CID 68727299) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one
PubChem CID68727299
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one
SMILESCC1=CC=CC2(CCCC2)C1C(=O)CC(C)O
InChIInChI=1S/C15H22O2/c1-11-6-5-9-15(7-3-4-8-15)14(11)13(17)10-12(2)16/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyCQHUAVMEPBJXKK-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one?
The IUPAC name of 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one (CID 68727299) is 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one.
What is the SMILES notation for 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one?
The canonical SMILES for 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one is CC1=CC=CC2(CCCC2)C1C(=O)CC(C)O.
What is the InChIKey of 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one?
The InChIKey is CQHUAVMEPBJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-6-5-9-15(7-3-4-8-15)14(11)13(17)10-12(2)16/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one?
3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(9-methylspiro[4.5]deca-6,8-dien-10-yl)butan-1-one is sourced from PubChem (CID 68727299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).