[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol

C20H34O — CID 101242466

IUPAC[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C)C(CO)C4[C@@H]3CC[C@@H]12
InChIInChI=1S/C20H34O/c1-18(2)9-5-10-19(3)14-8-11-20(4)15(12-21)17(20)13(14)6-7-16(18)19/h13-17,21H,5-12H2,1-4H3/t13-,14+,15?,16+,17?,19-,20+/m1/s1
InChIKeyJCIQPNAPOARTSF-WPZVQZBVSA-N
MW290.49 g/mol
LogP4.88
Rot. Bonds1

About [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol

[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol (PubChem CID 101242466) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol.

Molecular Properties

Compound Name[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol
PubChem CID101242466
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol
SMILESCC1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C)C(CO)C4[C@@H]3CC[C@@H]12
InChIInChI=1S/C20H34O/c1-18(2)9-5-10-19(3)14-8-11-20(4)15(12-21)17(20)13(14)6-7-16(18)19/h13-17,21H,5-12H2,1-4H3/t13-,14+,15?,16+,17?,19-,20+/m1/s1
InChIKeyJCIQPNAPOARTSF-WPZVQZBVSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol with MolForge

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Related Compounds

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CID 10955280
(1S,2R,4aS,8aR)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 101048550
[(1S,2S,4aS,8aR)-1,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl]methanol
CID 154016462
(13bR)-5b,8,8,11a-tetramethyl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysen-3a-amine
CID 145361762
(1R,2S,4aS,4bR,8aS)-4b,8,8-trimethyl-2-propan-2-yl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthrene-1,2-diol
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(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-2,3,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
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(2R)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propane-1,2-diol
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(4S,5R,8R,9S,10R,13S,14S,15S,17S)-4,10,13-trimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,15,17-triol
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(1-methyl-6-bicyclo[3.1.0]hexanyl)methanol
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(3R,3aR,5aR,5bS,7aS,11aR,11bR,13aR,13bR)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 124936291
(3R,3aR,5aR,5bR,11aS,13bS)-3-ethyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CID 91747701

Frequently Asked Questions

What is the IUPAC name of [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol?
The IUPAC name of [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol (CID 101242466) is [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol.
What is the SMILES notation for [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol?
The canonical SMILES for [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol is CC1(C)CCC[C@]2(C)[C@H]3CC[C@@]4(C)C(CO)C4[C@@H]3CC[C@@H]12.
What is the InChIKey of [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol?
The InChIKey is JCIQPNAPOARTSF-WPZVQZBVSA-N. The full InChI is InChI=1S/C20H34O/c1-18(2)9-5-10-19(3)14-8-11-20(4)15(12-21)17(20)13(14)6-7-16(18)19/h13-17,21H,5-12H2,1-4H3/t13-,14+,15?,16+,17?,19-,20+/m1/s1.
What are the key properties of [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol?
[(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol has a molecular weight of 290.49 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,1bR,3aS,7aR,7bS,9aR)-4,4,7a,9a-tetramethyl-1,1a,1b,2,3,3a,5,6,7,7b,8,9-dodecahydrocyclopropa[a]phenanthren-1-yl]methanol is sourced from PubChem (CID 101242466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).