1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one

C12H18O2 — CID 10512022

IUPAC1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one
SMILESCC1=CCC2(CC1)C(=O)CCC2CO
InChIInChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(8-13)2-3-11(12)14/h4,10,13H,2-3,5-8H2,1H3
InChIKeyBBTDAZZNRYYMNA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.07
Rot. Bonds1

About 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one

1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one (PubChem CID 10512022) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one.

Molecular Properties

Compound Name1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one
PubChem CID10512022
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one
SMILESCC1=CCC2(CC1)C(=O)CCC2CO
InChIInChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(8-13)2-3-11(12)14/h4,10,13H,2-3,5-8H2,1H3
InChIKeyBBTDAZZNRYYMNA-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(4R,5S,7R,11R)-11,12-Dihydroxy-1(10)-spirovetiven-2-one
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12-Hydroxy-chiloscyphone
CID 10243131
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
Oxysolavetivone
CID 74427721
Rhodocorane K
CID 156017766
Isolitseane B
CID 5279292
(2R,3S,4S)-3-(hydroxymethyl)-4-[(E)-5-hydroxy-5-methyl-1-methylene-hex-3-enyl]-2-methyl-cyclopentanone
CID 5279293
(3aR,5S,9E,12aS)-5-hydroxy-3a,10-dimethyl-6-methylidene-1-propan-2-ylidene-3,4,5,7,8,11,12,12a-octahydrocyclopenta[11]annulen-2-one
CID 46833126
Calamusin E
CID 60156054
(1S,4R,5R,10R)-10-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-8-ene-3,7-dione
CID 60156148
(1S,4S,5S,10R)-10-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155556588

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one?
The IUPAC name of 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one (CID 10512022) is 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one.
What is the SMILES notation for 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one?
The canonical SMILES for 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one is CC1=CCC2(CC1)C(=O)CCC2CO.
What is the InChIKey of 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one?
The InChIKey is BBTDAZZNRYYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(8-13)2-3-11(12)14/h4,10,13H,2-3,5-8H2,1H3.
What are the key properties of 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one?
1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one has a molecular weight of 194.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-8-methylspiro[4.5]dec-8-en-4-one is sourced from PubChem (CID 10512022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).