1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol

C15H22O3 — CID 135039279

IUPAC1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol
SMILESCC1=CC2C3CC(O)CC3C1(C)CC21OCCO1
InChIInChI=1S/C15H22O3/c1-9-5-13-11-6-10(16)7-12(11)14(9,2)8-15(13)17-3-4-18-15/h5,10-13,16H,3-4,6-8H2,1-2H3
InChIKeyGYDQPJIJTDDCGZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds

About 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol

1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol (PubChem CID 135039279) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol.

Molecular Properties

Compound Name1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol
PubChem CID135039279
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol
SMILESCC1=CC2C3CC(O)CC3C1(C)CC21OCCO1
InChIInChI=1S/C15H22O3/c1-9-5-13-11-6-10(16)7-12(11)14(9,2)8-15(13)17-3-4-18-15/h5,10-13,16H,3-4,6-8H2,1-2H3
InChIKeyGYDQPJIJTDDCGZ-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-one
CID 135038802
1-methyltricyclo[5.2.1.02,6]decane-4,8-diol
CID 70536291
spiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]hept-2-ene]-2'-ol
CID 163665577
(1R,2S,4R,6S,7S,10S,11R,14S)-7,11-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-ol
CID 169439786
6-bromo-7,9,9-trimethyl-8-pentyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 139606296
4-hydroxy-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
CID 593343
(3S,8S,10R,13S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 155445641
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
(3S,8R,9R,10R,11R,13S,14R,17R)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
CID 125035178
(1'R,3'R,4'R)-2',2',3'-trimethylspiro[1,3-dioxolane-2,5'-bicyclo[2.2.1]heptane]
CID 51669756
spiro[1,3-dioxolane-2,6'-bicyclo[2.2.1]hept-2-ene]-2'-carboxylic acid
CID 14381790

Frequently Asked Questions

What is the IUPAC name of 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol?
The IUPAC name of 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol (CID 135039279) is 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol.
What is the SMILES notation for 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol?
The canonical SMILES for 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol is CC1=CC2C3CC(O)CC3C1(C)CC21OCCO1.
What is the InChIKey of 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol?
The InChIKey is GYDQPJIJTDDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-5-13-11-6-10(16)7-12(11)14(9,2)8-15(13)17-3-4-18-15/h5,10-13,16H,3-4,6-8H2,1-2H3.
What are the key properties of 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol?
1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol has a molecular weight of 250.34 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',9'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[5.2.2.02,6]undec-8-ene]-4'-ol is sourced from PubChem (CID 135039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).