(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene

C18H20 — CID 173399216

IUPAC(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene
SMILESC[C@@]12C=CC=C1[C@@H]1CCc3ccccc3[C@H]1CC2
InChIInChI=1S/C18H20/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h2-7,11,15-16H,8-10,12H2,1H3/t15-,16-,18+/m1/s1
InChIKeyVDPWBTYPINGDJU-NUJGCVRESA-N
MW236.36 g/mol
LogP4.63
Rot. Bonds

About (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene

(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene (PubChem CID 173399216) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene
PubChem CID173399216
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene
SMILESC[C@@]12C=CC=C1[C@@H]1CCc3ccccc3[C@H]1CC2
InChIInChI=1S/C18H20/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h2-7,11,15-16H,8-10,12H2,1H3/t15-,16-,18+/m1/s1
InChIKeyVDPWBTYPINGDJU-NUJGCVRESA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene
CID 22596813
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(8R,9S,13S,14S,15S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15,16,17-triol
CID 165160466
(8R,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthrene
CID 22845114
(1R,2R,4S,7S,10S)-7-methylpentacyclo[8.8.0.02,4.02,7.011,16]octadeca-11,13,15-triene
CID 173440589
(8R,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 101173762
(8R,9S,13S,14S,17S)-N-benzyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-amine
CID 67726335
ethane;(1R,2R,9R,12R)-9-methyltetracyclo[10.8.0.02,9.013,18]icosa-13,15,17-triene
CID 142141832
1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalene
CID 156649341
1-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1H-indene
CID 87773412
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
(8R,9S,13S,14S,16R,17S)-16-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-ol
CID 125471674

Frequently Asked Questions

What is the IUPAC name of (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene?
The IUPAC name of (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene (CID 173399216) is (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene is C[C@@]12C=CC=C1[C@@H]1CCc3ccccc3[C@H]1CC2.
What is the InChIKey of (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene?
The InChIKey is VDPWBTYPINGDJU-NUJGCVRESA-N. The full InChI is InChI=1S/C18H20/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h2-7,11,15-16H,8-10,12H2,1H3/t15-,16-,18+/m1/s1.
What are the key properties of (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene?
(8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene has a molecular weight of 236.36 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,13R)-13-methyl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 173399216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).