(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene

C18H32 — CID 162890936

IUPAC(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)CCCC[C@@H]12
InChIInChI=1S/C18H32/c1-16(2)10-7-12-18(4)14(16)9-13-17(3)11-6-5-8-15(17)18/h14-15H,5-13H2,1-4H3/t14-,15-,17+,18-/m0/s1
InChIKeyJMIXISMLYBDEMM-ONIAQPFYSA-N
MW248.45 g/mol
LogP5.81
Rot. Bonds

About (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene

(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene (PubChem CID 162890936) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene.

Molecular Properties

Compound Name(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
PubChem CID162890936
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
SMILESCC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)CCCC[C@@H]12
InChIInChI=1S/C18H32/c1-16(2)10-7-12-18(4)14(16)9-13-17(3)11-6-5-8-15(17)18/h14-15H,5-13H2,1-4H3/t14-,15-,17+,18-/m0/s1
InChIKeyJMIXISMLYBDEMM-ONIAQPFYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The IUPAC name of (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene (CID 162890936) is (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene.
What is the SMILES notation for (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The canonical SMILES for (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene is CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)CCCC[C@@H]12.
What is the InChIKey of (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The InChIKey is JMIXISMLYBDEMM-ONIAQPFYSA-N. The full InChI is InChI=1S/C18H32/c1-16(2)10-7-12-18(4)14(16)9-13-17(3)11-6-5-8-15(17)18/h14-15H,5-13H2,1-4H3/t14-,15-,17+,18-/m0/s1.
What are the key properties of (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene has a molecular weight of 248.45 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene is sourced from PubChem (CID 162890936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).