(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol

C20H30O3 — CID 58802221

IUPAC(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol
SMILESCC1(C)C2=CC[C@]3(C)C(=CCC[C@H]3O)[C@@]2(C)CCC12OCCO2
InChIInChI=1S/C20H30O3/c1-17(2)14-8-9-19(4)15(6-5-7-16(19)21)18(14,3)10-11-20(17)22-12-13-23-20/h6,8,16,21H,5,7,9-13H2,1-4H3/t16-,18+,19-/m1/s1
InChIKeyHQIVMRXJIQTVGX-NZSAHSFTSA-N
MW318.46 g/mol
LogP3.97
Rot. Bonds

About (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol

(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol (PubChem CID 58802221) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol.

Molecular Properties

Compound Name(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol
PubChem CID58802221
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol
SMILESCC1(C)C2=CC[C@]3(C)C(=CCC[C@H]3O)[C@@]2(C)CCC12OCCO2
InChIInChI=1S/C20H30O3/c1-17(2)14-8-9-19(4)15(6-5-7-16(19)21)18(14,3)10-11-20(17)22-12-13-23-20/h6,8,16,21H,5,7,9-13H2,1-4H3/t16-,18+,19-/m1/s1
InChIKeyHQIVMRXJIQTVGX-NZSAHSFTSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol?
The IUPAC name of (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol (CID 58802221) is (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol.
What is the SMILES notation for (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol?
The canonical SMILES for (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol is CC1(C)C2=CC[C@]3(C)C(=CCC[C@H]3O)[C@@]2(C)CCC12OCCO2.
What is the InChIKey of (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol?
The InChIKey is HQIVMRXJIQTVGX-NZSAHSFTSA-N. The full InChI is InChI=1S/C20H30O3/c1-17(2)14-8-9-19(4)15(6-5-7-16(19)21)18(14,3)10-11-20(17)22-12-13-23-20/h6,8,16,21H,5,7,9-13H2,1-4H3/t16-,18+,19-/m1/s1.
What are the key properties of (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol?
(1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol has a molecular weight of 318.46 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4bR,10aR)-4b,8,8,10a-tetramethylspiro[1,2,3,5,6,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-1-ol is sourced from PubChem (CID 58802221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).