4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane

C20H34O2 — CID 142265663

IUPAC4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane
SMILESCC.CC1COC2(CCC3C4=CCCCC4CCC3C2C)O1
InChIInChI=1S/C18H28O2.C2H6/c1-12-11-19-18(20-12)10-9-17-15(13(18)2)8-7-14-5-3-4-6-16(14)17;1-2/h6,12-15,17H,3-5,7-11H2,1-2H3;1-2H3
InChIKeyXNGBEGMIMIBBJT-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.33
Rot. Bonds

About 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane

4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane (PubChem CID 142265663) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane.

Molecular Properties

Compound Name4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane
PubChem CID142265663
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane
SMILESCC.CC1COC2(CCC3C4=CCCCC4CCC3C2C)O1
InChIInChI=1S/C18H28O2.C2H6/c1-12-11-19-18(20-12)10-9-17-15(13(18)2)8-7-14-5-3-4-6-16(14)17;1-2/h6,12-15,17H,3-5,7-11H2,1-2H3;1-2H3
InChIKeyXNGBEGMIMIBBJT-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane with MolForge

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Related Compounds

(1R,3S,4aS,4bR,7S,10aS)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol
CID 101353098
(2R,4aS,4bR,7S,10aS)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol
CID 44626665
(1R,3S,4aS,4bR,7S,10aS)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol
CID 155565147
1,10-Dihydronootkatone ketal
CID 76312505
[(4'aS,6'aR,6'aS,6'bR,8'aR,12'aR,14'bS)-2',2',6'a,6'b,9',9',12'a-heptamethylspiro[1,3-dioxolane-2,10'-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene]-4'a-yl]methanol
CID 53325609
(2R,5S)-5-[(3R)-3-[(3S,5R,8S,10S,13R,14S,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-2,4,4-trimethyl-1,3-dioxolane
CID 162959269
(4R)-4-[(2S,4aS,4bS,8aS)-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 163007424
[(1R,4aR,4bS,7S,8aS)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,4b,7-trimethyl-3,4,4a,5,6,8,8a,9-octahydro-2H-phenanthren-1-yl]methanol
CID 163080222
(4R)-4-[(2S,4bS,8aS)-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 163193706
(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
(4bS,8aR,10aR)-10a-ethyl-4b,8,8-trimethylspiro[1,2,3,5,6,8a,9,10-octahydrophenanthrene-7,2'-1,3-dioxolane]
CID 58100916
(1'S,2'R,10'aR,12'aS)-1'-fluoro-2',10'a,12'a-trimethylspiro[1,3-dioxolane-2,8'-2,3,4,4a,4b,5,7,9,10,10b,11,12-dodecahydro-1H-chrysene]
CID 54596714

Frequently Asked Questions

What is the IUPAC name of 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane?
The IUPAC name of 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane (CID 142265663) is 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane.
What is the SMILES notation for 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane?
The canonical SMILES for 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane is CC.CC1COC2(CCC3C4=CCCCC4CCC3C2C)O1.
What is the InChIKey of 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane?
The InChIKey is XNGBEGMIMIBBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C2H6/c1-12-11-19-18(20-12)10-9-17-15(13(18)2)8-7-14-5-3-4-6-16(14)17;1-2/h6,12-15,17H,3-5,7-11H2,1-2H3;1-2H3.
What are the key properties of 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane?
4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane has a molecular weight of 306.49 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane is sourced from PubChem (CID 142265663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).