(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

C18H24 — CID 54047098

IUPAC(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESC[C@@]12CCC[C@H]1c1ccc3c(c1CC2)CCCC3
InChIInChI=1S/C18H24/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h8-9,17H,2-7,10-12H2,1H3/t17-,18-/m0/s1
InChIKeyLQILYMOPFWZSIM-ROUUACIJSA-N
MW240.39 g/mol
LogP4.79
Rot. Bonds

About (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (PubChem CID 54047098) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
PubChem CID54047098
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SMILESC[C@@]12CCC[C@H]1c1ccc3c(c1CC2)CCCC3
InChIInChI=1S/C18H24/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h8-9,17H,2-7,10-12H2,1H3/t17-,18-/m0/s1
InChIKeyLQILYMOPFWZSIM-ROUUACIJSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The IUPAC name of (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene (CID 54047098) is (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The canonical SMILES for (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is C[C@@]12CCC[C@H]1c1ccc3c(c1CC2)CCCC3.
What is the InChIKey of (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
The InChIKey is LQILYMOPFWZSIM-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h8-9,17H,2-7,10-12H2,1H3/t17-,18-/m0/s1.
What are the key properties of (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene?
(13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene has a molecular weight of 240.39 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (13S,14R)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 54047098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).