4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

C24H40 — CID 162902156

IUPAC4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESCC1=C2CCC3C4C(C(C)C)CCC4(C)CCC3(C)C2(C)CCC1
InChIInChI=1S/C24H40/c1-16(2)18-11-13-22(4)14-15-24(6)20(21(18)22)10-9-19-17(3)8-7-12-23(19,24)5/h16,18,20-21H,7-15H2,1-6H3
InChIKeyKPVIZULLSJKVNJ-UHFFFAOYSA-N
MW328.58 g/mol
LogP7.39
Rot. Bonds1

About 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene

4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (PubChem CID 162902156) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
PubChem CID162902156
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
SMILESCC1=C2CCC3C4C(C(C)C)CCC4(C)CCC3(C)C2(C)CCC1
InChIInChI=1S/C24H40/c1-16(2)18-11-13-22(4)14-15-24(6)20(21(18)22)10-9-19-17(3)8-7-12-23(19,24)5/h16,18,20-21H,7-15H2,1-6H3
InChIKeyKPVIZULLSJKVNJ-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (CID 162902156) is 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is CC1=C2CCC3C4C(C(C)C)CCC4(C)CCC3(C)C2(C)CCC1.
What is the InChIKey of 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
The InChIKey is KPVIZULLSJKVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-16(2)18-11-13-22(4)14-15-24(6)20(21(18)22)10-9-19-17(3)8-7-12-23(19,24)5/h16,18,20-21H,7-15H2,1-6H3.
What are the key properties of 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene?
4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene has a molecular weight of 328.58 g/mol, XLogP of 7.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,10,13-tetramethyl-15-propan-2-yl-1,2,3,6,7,8,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 162902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).