6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol

C15H24O3 — CID 590624

IUPAC6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol
SMILESCC1(C)CC(O)C2=C(CCC2)CC2(C1)OCCO2
InChIInChI=1S/C15H24O3/c1-14(2)9-13(16)12-5-3-4-11(12)8-15(10-14)17-6-7-18-15/h13,16H,3-10H2,1-2H3
InChIKeyHCAIXYPBMNAOCA-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds

About 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol

6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol (PubChem CID 590624) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol.

Molecular Properties

Compound Name6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol
PubChem CID590624
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol
SMILESCC1(C)CC(O)C2=C(CCC2)CC2(C1)OCCO2
InChIInChI=1S/C15H24O3/c1-14(2)9-13(16)12-5-3-4-11(12)8-15(10-14)17-6-7-18-15/h13,16H,3-10H2,1-2H3
InChIKeyHCAIXYPBMNAOCA-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
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

1,4-Dioxaspiro[4.5]dec-7-ene-8-methanol, 7,9,9-trimethyl-
CID 10954861
2-[5,5-[Ethylenedioxy)-2,6,6-trimethyl-1-cyclohexenyl]-1,2-ethane-diol
CID 15663383
2-[(4-Methoxy-2,3,3-trimethylcyclopent-1-enyl)methyl]-1,3-dioxolane
CID 21580127
(6,7-Dimethyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 11019847
2,2,5,8,8-Pentamethyl-3a,6,7,8a-tetrahydrocyclohepta[d][1,3]dioxol-6-ol
CID 22922438
(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
CID 59582421
(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
CID 70879621
(1'R,7'aR)-4'-ethyl-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,6,7-tetrahydro-1H-indene]-1'-ol
CID 118179634
(2,3,7-Trimethyl-8-propyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)methanol
CID 122635503
(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methanol
CID 10012611
(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol
CID 10777084
1',4'a-Dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
CID 11333877

Frequently Asked Questions

What is the IUPAC name of 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol?
The IUPAC name of 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol (CID 590624) is 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol.
What is the SMILES notation for 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol?
The canonical SMILES for 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol is CC1(C)CC(O)C2=C(CCC2)CC2(C1)OCCO2.
What is the InChIKey of 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol?
The InChIKey is HCAIXYPBMNAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(2)9-13(16)12-5-3-4-11(12)8-15(10-14)17-6-7-18-15/h13,16H,3-10H2,1-2H3.
What are the key properties of 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol?
6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol has a molecular weight of 252.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6',6'-dimethylspiro[1,3-dioxolane-2,8'-2,3,4,5,7,9-hexahydro-1H-cyclopenta[8]annulene]-4'-ol is sourced from PubChem (CID 590624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).