9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol

C15H24O3 — CID 162815208

IUPAC9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol
SMILESC=C1C(O)CC(O)C(C)(C)C12CC=C(CO)CC2
InChIInChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,12-13,16-18H,1,5-9H2,2-3H3
InChIKeyKYEPXJWFBINNCW-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.78
Rot. Bonds1

About 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol

9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol (PubChem CID 162815208) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol.

Molecular Properties

Compound Name9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol
PubChem CID162815208
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol
SMILESC=C1C(O)CC(O)C(C)(C)C12CC=C(CO)CC2
InChIInChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,12-13,16-18H,1,5-9H2,2-3H3
InChIKeyKYEPXJWFBINNCW-UHFFFAOYSA-N
XLogP1.78
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S,6R)-9-(hydroxymethyl)-1,1,5-trimethylspiro[5.5]undec-9-ene-4,5-diol
CID 139590382
(1R,2S,3aS,8aR)-6-(hydroxymethyl)-1-(2-hydroxypropan-2-yl)-3a,8a-dimethyl-3,4,7,8-tetrahydro-2H-azulene-1,2-diol
CID 134552096
2-hydroxy-9-(hydroxymethyl)-1,5,5-trimethylspiro[5.5]undeca-1,9-dien-3-one
CID 162815203
(3S,4S)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
CID 14108768
1-ethenyl-4-(hydroxymethyl)cyclohex-3-ene-1-carbaldehyde
CID 130025563
[(1S,4Z,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methanol
CID 91753476
[1-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]methanol
CID 89243964
4,4-dimethyl-1-(4-methylpent-3-enyl)cyclohexene
CID 143132171
2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
CID 72978336
2-[(1S,3aR,8aS)-6-(hydroxymethyl)-3a-methyl-2,3,4,5,8,8a-hexahydro-1H-azulen-1-yl]propan-2-ol
CID 102429819
5a-(hydroxymethyl)-10a-methyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[f]azulene-3,3a,6,8,9a-pentol
CID 163107144
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
CID 98049886

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol?
The IUPAC name of 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol (CID 162815208) is 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol.
What is the SMILES notation for 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol?
The canonical SMILES for 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol is C=C1C(O)CC(O)C(C)(C)C12CC=C(CO)CC2.
What is the InChIKey of 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol?
The InChIKey is KYEPXJWFBINNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-12(17)8-13(18)14(2,3)15(10)6-4-11(9-16)5-7-15/h4,12-13,16-18H,1,5-9H2,2-3H3.
What are the key properties of 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol?
9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol has a molecular weight of 252.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-5,5-dimethyl-1-methylidenespiro[5.5]undec-9-ene-2,4-diol is sourced from PubChem (CID 162815208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).