7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol

C20H32O2 — CID 72820382

IUPAC7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol
SMILESC=CC1=CCC2C(C(O)CC3C(C)(C)C(O)CCC23C)C1C
InChIInChI=1S/C20H32O2/c1-6-13-7-8-14-18(12(13)2)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3
InChIKeyRCJWLCHBYQFYJT-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.94
Rot. Bonds1

About 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol

7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol (PubChem CID 72820382) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol.

Molecular Properties

Compound Name7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol
PubChem CID72820382
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol
SMILESC=CC1=CCC2C(C(O)CC3C(C)(C)C(O)CCC23C)C1C
InChIInChI=1S/C20H32O2/c1-6-13-7-8-14-18(12(13)2)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3
InChIKeyRCJWLCHBYQFYJT-UHFFFAOYSA-N
XLogP3.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4aS,4bR,8S,8aR)-7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthren-2-ol
CID 90659291
(2S,4aS,4bS,8S,8aR,10aS)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-4,4b,5,8,8a,9,10,10a-octahydro-2H-phenanthren-3-one
CID 122202619
2-(dimethylamino)ethyl (2E)-2-[(1R,4aR,4bR,7S,8aR,10S,10aR)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate
CID 162959779
7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthren-3-ol
CID 163037426
(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
CID 15699930
3-hydroxy-4,4,11b-trimethyl-7-oxo-1,2,3,4a,5,6,6a,8,11,11a-decahydrocyclohepta[a]naphthalene-9-carbaldehyde
CID 90467811
(4bR,7R)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-2,8a-diol
CID 162414705
[(1R,4aS,4bR,8aS,9R,10aS)-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-9-yl] acetate
CID 102497675
(2R,4aS,4bR,6S,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol
CID 162934254
(3S,4aR,6aR,6bS,8aR,12R,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
CID 162945714
(2S,4aS,5R,8aR)-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
CID 135066668
3,3,8,8,11a-pentamethyl-1,5,7,7a,9,10,11,11b-octahydrobenzo[g][2,4]benzodioxepin-9-ol
CID 56681183

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol?
The IUPAC name of 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol (CID 72820382) is 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol.
What is the SMILES notation for 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol?
The canonical SMILES for 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol is C=CC1=CCC2C(C(O)CC3C(C)(C)C(O)CCC23C)C1C.
What is the InChIKey of 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol?
The InChIKey is RCJWLCHBYQFYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-6-13-7-8-14-18(12(13)2)15(21)11-16-19(3,4)17(22)9-10-20(14,16)5/h6-7,12,14-18,21-22H,1,8-11H2,2-5H3.
What are the key properties of 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol?
7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol has a molecular weight of 304.47 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol is sourced from PubChem (CID 72820382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).