(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

C20H32O — CID 90659291

IUPAC(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
SMILESC=CC1=CC[C@@H]2[C@H](CCC3C(C)(C)[C@H](O)CC[C@]32C)[C@@H]1C
InChIInChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17?,18-,20+/m1/s1
InChIKeyBHRUCLDHUXEJQR-BOXOZTEYSA-N
MW288.48 g/mol
LogP4.97
Rot. Bonds1

About (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

(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 (PubChem CID 90659291) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID90659291
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(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
SMILESC=CC1=CC[C@@H]2[C@H](CCC3C(C)(C)[C@H](O)CC[C@]32C)[C@@H]1C
InChIInChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17?,18-,20+/m1/s1
InChIKeyBHRUCLDHUXEJQR-BOXOZTEYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

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CID 122202619
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CID 102497675
(2R,4aS,4bS,8R,8aS,10aR)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione
CID 10087144
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CID 163049113

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CC1=CC[C@@H]2[C@H](CCC3C(C)(C)[C@H](O)CC[C@]32C)[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is BHRUCLDHUXEJQR-BOXOZTEYSA-N. The full InChI is InChI=1S/C20H32O/c1-6-14-7-9-16-15(13(14)2)8-10-17-19(3,4)18(21)11-12-20(16,17)5/h6-7,13,15-18,21H,1,8-12H2,2-5H3/t13-,15-,16-,17?,18-,20+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 288.48 g/mol, XLogP of 4.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 90659291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).