9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

C27H46 — CID 123654850

IUPAC9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCC1CCC(C2(C3CCC(C)CC3)C3CCCCC3C3CCCCC32)CC1
InChIInChI=1S/C27H46/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h19-26H,3-18H2,1-2H3
InChIKeyZCEYGMAWNNZKMU-UHFFFAOYSA-N
MW370.67 g/mol
LogP8.25
Rot. Bonds2

About 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene

9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (PubChem CID 123654850) has the molecular formula C27H46 and a molecular weight of 370.67 g/mol. Its IUPAC name is 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.

Molecular Properties

Compound Name9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
PubChem CID123654850
Molecular FormulaC27H46
Molecular Weight370.67 g/mol
Exact Mass370.36
IUPAC Name9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
SMILESCC1CCC(C2(C3CCC(C)CC3)C3CCCCC3C3CCCCC32)CC1
InChIInChI=1S/C27H46/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h19-26H,3-18H2,1-2H3
InChIKeyZCEYGMAWNNZKMU-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene with MolForge

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Related Compounds

6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
CID 79330765
9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140500151
4,4,6-trimethyl-2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]indene
CID 142551529
methylcyclopentane
CID 7296
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
2-[2-(4-chlorocyclohexyl)-3-cycloheptyl-2-cyclohexylcyclooctyl]cyclopentan-1-ol
CID 173181568
erbium;tris(methylcyclopentane)
CID 91996115
cyclohexane;methylcyclopentane
CID 20788572
CID 158187464
CID 158187464
methylcyclobutane;tetrakis(methylcyclopentane)
CID 160836928
1,6-dimethylcycloundecane
CID 91298161
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
CID 134369076

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The IUPAC name of 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene (CID 123654850) is 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene.
What is the SMILES notation for 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The canonical SMILES for 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is CC1CCC(C2(C3CCC(C)CC3)C3CCCCC3C3CCCCC32)CC1.
What is the InChIKey of 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
The InChIKey is ZCEYGMAWNNZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46/c1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h19-26H,3-18H2,1-2H3.
What are the key properties of 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene?
9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene has a molecular weight of 370.67 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene is sourced from PubChem (CID 123654850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).