1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

C14H22O3 — CID 11333877

IUPAC1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESCC1=C2CCCC3(OCCO3)C2(C)CCC1O
InChIInChI=1S/C14H22O3/c1-10-11-4-3-6-14(16-8-9-17-14)13(11,2)7-5-12(10)15/h12,15H,3-9H2,1-2H3
InChIKeyVQGUTKVVAWKCOE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.39
Rot. Bonds

About 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (PubChem CID 11333877) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.

Molecular Properties

Compound Name1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
PubChem CID11333877
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESCC1=C2CCCC3(OCCO3)C2(C)CCC1O
InChIInChI=1S/C14H22O3/c1-10-11-4-3-6-14(16-8-9-17-14)13(11,2)7-5-12(10)15/h12,15H,3-9H2,1-2H3
InChIKeyVQGUTKVVAWKCOE-UHFFFAOYSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The IUPAC name of 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (CID 11333877) is 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.
What is the SMILES notation for 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The canonical SMILES for 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is CC1=C2CCCC3(OCCO3)C2(C)CCC1O.
What is the InChIKey of 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The InChIKey is VQGUTKVVAWKCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-11-4-3-6-14(16-8-9-17-14)13(11,2)7-5-12(10)15/h12,15H,3-9H2,1-2H3.
What are the key properties of 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol has a molecular weight of 238.33 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4'a-dimethylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is sourced from PubChem (CID 11333877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).