2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene

C19H34 — CID 14264198

IUPAC2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
SMILESCC1CCC2C(C)(CCC3C(C)(C)CCCC32C)C1
InChIInChI=1S/C19H34/c1-14-7-8-16-18(4,13-14)12-9-15-17(2,3)10-6-11-19(15,16)5/h14-16H,6-13H2,1-5H3
InChIKeyAUURGXHGUYRONO-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.06
Rot. Bonds

About 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene

2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene (PubChem CID 14264198) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene.

Molecular Properties

Compound Name2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
PubChem CID14264198
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
SMILESCC1CCC2C(C)(CCC3C(C)(C)CCCC32C)C1
InChIInChI=1S/C19H34/c1-14-7-8-16-18(4,13-14)12-9-15-17(2,3)10-6-11-19(15,16)5/h14-16H,6-13H2,1-5H3
InChIKeyAUURGXHGUYRONO-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene with MolForge

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Related Compounds

(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 162890936
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276
4b,8,8,9a-tetramethyl-2-propan-2-yl-1,2,3,4,4a,5,6,7,8a,9-decahydrofluorene
CID 166035433
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(1S,2S,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carbaldehyde
CID 14106834
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
(1S,4R,9R,10S,13S,14R,16S)-5,5,9,13-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane
CID 163016119
(4aS,4bR,6aR,7S,10aR,10bR,12aS)-1,1,4a,7,10a,10b-hexamethyl-7-propyl-3,4,4b,5,6,6a,8,9,10,11,12,12a-dodecahydro-2H-chrysene
CID 162856905
(1R,4R,9R,10S,13R,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
CID 162879066
(1S,4S,9S,10R,13S,14S,15R)-14,15-dideuterio-5,5,9,13-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
CID 23254326
(2R,4aR,4bS,8aS,10aR)-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-2,10a-diol
CID 53236772

Frequently Asked Questions

What is the IUPAC name of 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The IUPAC name of 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene (CID 14264198) is 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene.
What is the SMILES notation for 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The canonical SMILES for 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene is CC1CCC2C(C)(CCC3C(C)(C)CCCC32C)C1.
What is the InChIKey of 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
The InChIKey is AUURGXHGUYRONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-14-7-8-16-18(4,13-14)12-9-15-17(2,3)10-6-11-19(15,16)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene?
2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene has a molecular weight of 262.48 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene is sourced from PubChem (CID 14264198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).