2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

C29H52 — CID 123471290

IUPAC2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCCCC1CC(C2CCC3C4CCC(C)CC4C(C)(C)C3C2)C(CCC)CC1C
InChIInChI=1S/C29H52/c1-7-9-21-17-26(22(10-8-2)16-20(21)4)23-12-14-25-24-13-11-19(3)15-27(24)29(5,6)28(25)18-23/h19-28H,7-18H2,1-6H3
InChIKeyYUYZTTMHGQUHSS-UHFFFAOYSA-N
MW400.74 g/mol
LogP8.99
Rot. Bonds5

About 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (PubChem CID 123471290) has the molecular formula C29H52 and a molecular weight of 400.74 g/mol. Its IUPAC name is 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.

Molecular Properties

Compound Name2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
PubChem CID123471290
Molecular FormulaC29H52
Molecular Weight400.74 g/mol
Exact Mass400.41
IUPAC Name2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCCCC1CC(C2CCC3C4CCC(C)CC4C(C)(C)C3C2)C(CCC)CC1C
InChIInChI=1S/C29H52/c1-7-9-21-17-26(22(10-8-2)16-20(21)4)23-12-14-25-24-13-11-19(3)15-27(24)29(5,6)28(25)18-23/h19-28H,7-18H2,1-6H3
InChIKeyYUYZTTMHGQUHSS-UHFFFAOYSA-N
XLogP8.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
ethane;1-methyl-2-propylcyclopropane
CID 144710386
ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
CID 91346201
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
(3S,8R,10S,13S,17Z)-3,13-dimethyl-17-propylidene-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145065439
(1S,3S,5R)-6,6-dimethyl-3-propylbicyclo[3.1.1]heptan-2-amine
CID 58974255
(5R,8R,9R,10S,13S,14S,17E)-3,13-dimethyl-17-propylidene-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 144732752

Frequently Asked Questions

What is the IUPAC name of 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The IUPAC name of 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (CID 123471290) is 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.
What is the SMILES notation for 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The canonical SMILES for 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is CCCC1CC(C2CCC3C4CCC(C)CC4C(C)(C)C3C2)C(CCC)CC1C.
What is the InChIKey of 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The InChIKey is YUYZTTMHGQUHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52/c1-7-9-21-17-26(22(10-8-2)16-20(21)4)23-12-14-25-24-13-11-19(3)15-27(24)29(5,6)28(25)18-23/h19-28H,7-18H2,1-6H3.
What are the key properties of 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene has a molecular weight of 400.74 g/mol, XLogP of 8.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,9-trimethyl-7-(4-methyl-2,5-dipropylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is sourced from PubChem (CID 123471290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).