7-hydroxy-1-methylspiro[3.5]nonan-3-one

C10H16O2 — CID 163701413

IUPAC7-hydroxy-1-methylspiro[3.5]nonan-3-one
SMILESCC1CC(=O)C12CCC(O)CC2
InChIInChI=1S/C10H16O2/c1-7-6-9(12)10(7)4-2-8(11)3-5-10/h7-8,11H,2-6H2,1H3
InChIKeyKBHXRORXFHRQCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds

About 7-hydroxy-1-methylspiro[3.5]nonan-3-one

7-hydroxy-1-methylspiro[3.5]nonan-3-one (PubChem CID 163701413) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-hydroxy-1-methylspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-hydroxy-1-methylspiro[3.5]nonan-3-one
PubChem CID163701413
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-hydroxy-1-methylspiro[3.5]nonan-3-one
SMILESCC1CC(=O)C12CCC(O)CC2
InChIInChI=1S/C10H16O2/c1-7-6-9(12)10(7)4-2-8(11)3-5-10/h7-8,11H,2-6H2,1H3
InChIKeyKBHXRORXFHRQCS-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
8-hydroxyspiro[4.5]decane-1,4-dione
CID 150683768
1,8-dimethyl-4-methylidenespiro[4.5]decan-3-one
CID 12972302
8-methylspiro[3.4]octan-3-one
CID 557011
9-methylspiro[3.5]nonan-3-one
CID 557033
(10R)-10-methylspiro[4.5]decan-4-one
CID 130834325
(6-oxospiro[2.3]hexan-4-yl)boronic acid
CID 166000500
4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
CID 71103192
7-fluoro-3,11-dimethyldispiro[5.1.58.16]tetradecan-14-one
CID 18633624
(1S,5R,6S,8R)-5-hydroxytricyclo[6.2.2.01,6]dodecan-10-one
CID 101488524
8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one
CID 148805131
2,3-dimethyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 130145096

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methylspiro[3.5]nonan-3-one?
The IUPAC name of 7-hydroxy-1-methylspiro[3.5]nonan-3-one (CID 163701413) is 7-hydroxy-1-methylspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-hydroxy-1-methylspiro[3.5]nonan-3-one?
The canonical SMILES for 7-hydroxy-1-methylspiro[3.5]nonan-3-one is CC1CC(=O)C12CCC(O)CC2.
What is the InChIKey of 7-hydroxy-1-methylspiro[3.5]nonan-3-one?
The InChIKey is KBHXRORXFHRQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-6-9(12)10(7)4-2-8(11)3-5-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 7-hydroxy-1-methylspiro[3.5]nonan-3-one?
7-hydroxy-1-methylspiro[3.5]nonan-3-one has a molecular weight of 168.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methylspiro[3.5]nonan-3-one is sourced from PubChem (CID 163701413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).