(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol

C17H30O2 — CID 144526385

IUPAC(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol
SMILESCC1(C)CCC[C@@]2(C)C1[C@H](O)C[C@@]1(O)CCCCC12
InChIInChI=1S/C17H30O2/c1-15(2)8-6-9-16(3)13-7-4-5-10-17(13,19)11-12(18)14(15)16/h12-14,18-19H,4-11H2,1-3H3/t12-,13?,14?,16-,17+/m1/s1
InChIKeyFLKBBTIAAHGMJS-HVOIHPLZSA-N
MW266.42 g/mol
LogP3.50
Rot. Bonds

About (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol

(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol (PubChem CID 144526385) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol.

Molecular Properties

Compound Name(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol
PubChem CID144526385
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol
SMILESCC1(C)CCC[C@@]2(C)C1[C@H](O)C[C@@]1(O)CCCCC12
InChIInChI=1S/C17H30O2/c1-15(2)8-6-9-16(3)13-7-4-5-10-17(13,19)11-12(18)14(15)16/h12-14,18-19H,4-11H2,1-3H3/t12-,13?,14?,16-,17+/m1/s1
InChIKeyFLKBBTIAAHGMJS-HVOIHPLZSA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol with MolForge

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Related Compounds

(4aS,4bS,7S,8aS,10R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol
CID 163067033
(4aS,4bR,7S,8aS,10R)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-8a,10-diol
CID 134815158
(3aR,5S,5aR,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-5-ol
CID 125113932
(3aS,5S,5aS,9aS,9bR)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-5-ol
CID 101113599
(4aR,4bR,8aS,10aR)-4b,8,8-trimethyl-10a-propan-2-yl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene-9,10-diol
CID 66743546
(3R,3aS,7aS)-3,3a,7,7-tetramethyl-2,3,4,5,6,7a-hexahydro-1H-inden-1-ol
CID 90388891
(1S,3R,4R,4aS)-4-(2-hydroxyethyl)-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol
CID 101113600
(3S,3aS,4S,5aR,5bR,7S,7aS,11aR,11bS,13aR,13bR)-3-(2-hydroxypropan-2-yl)-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-4,7-diol
CID 162937768
3-(2-hydroxypropan-2-yl)-5b,8,8,11a,13b-pentamethyl-2,3,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydro-1H-cyclopenta[a]chrysen-7-ol
CID 162935223
(3S,3aS,5aS,5bR,7S,11aR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-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-7-ol
CID 6708653
(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 162890936
(1R,4aS,4bR,6S,10aR,10bS,12aS)-1-(hydroxymethyl)-2,4b,7,7,10a,12a-hexamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysen-6-ol
CID 102500611

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol?
The IUPAC name of (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol (CID 144526385) is (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol.
What is the SMILES notation for (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol?
The canonical SMILES for (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol is CC1(C)CCC[C@@]2(C)C1[C@H](O)C[C@@]1(O)CCCCC12.
What is the InChIKey of (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol?
The InChIKey is FLKBBTIAAHGMJS-HVOIHPLZSA-N. The full InChI is InChI=1S/C17H30O2/c1-15(2)8-6-9-16(3)13-7-4-5-10-17(13,19)11-12(18)14(15)16/h12-14,18-19H,4-11H2,1-3H3/t12-,13?,14?,16-,17+/m1/s1.
What are the key properties of (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol?
(4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol has a molecular weight of 266.42 g/mol, XLogP of 3.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS,10R)-1,1,4a-trimethyl-3,4,4b,5,6,7,8,9,10,10a-decahydro-2H-phenanthrene-8a,10-diol is sourced from PubChem (CID 144526385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).