3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C28H42 — CID 59153577

IUPAC3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1CC(C(C)(C)C)CC1CC1C2C=CC=CC2C2C=C(C(C)(C)C)C=CC21
InChIInChI=1S/C28H42/c1-18-14-21(28(5,6)7)15-19(18)16-25-22-10-8-9-11-23(22)26-17-20(27(2,3)4)12-13-24(25)26/h8-13,17-19,21-26H,14-16H2,1-7H3
InChIKeyWUSRFANTKLTKNC-UHFFFAOYSA-N
MW378.64 g/mol
LogP7.85
Rot. Bonds2

About 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 59153577) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID59153577
Molecular FormulaC28H42
Molecular Weight378.64 g/mol
Exact Mass378.33
IUPAC Name3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESCC1CC(C(C)(C)C)CC1CC1C2C=CC=CC2C2C=C(C(C)(C)C)C=CC21
InChIInChI=1S/C28H42/c1-18-14-21(28(5,6)7)15-19(18)16-25-22-10-8-9-11-23(22)26-17-20(27(2,3)4)12-13-24(25)26/h8-13,17-19,21-26H,14-16H2,1-7H3
InChIKeyWUSRFANTKLTKNC-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.64
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Related Compounds

3,6-ditert-butyl-9-[(R)-(4-tert-butyl-2-methylcyclopentyl)-(4-tert-butylphenyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;propane
CID 162289561
2,7-ditert-butyl-9-[(R)-(4-tert-butyl-2-methylcyclopentyl)-naphthalen-2-ylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140522827
2,7-ditert-butyl-9-[2-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 59637812
12-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-5,5,8,8,16,16,19,19-octamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-3,9,14,20-tetraene;carbanide;2,7-ditert-butyl-9-(5-tert-butyl-1,3,3-trimethyl-2,3a,4,5,6,6a-hexahydropentalen-1-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+))
CID 162279301
(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,3,4,5,6,7-hexamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane
CID 162291559
9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;bis(dichlorozirconium(2+))
CID 162277082
2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162270932
9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162269319
3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 155154681
2,7-ditert-butyl-9-[(3-butylcyclopentyl)-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140694745
2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140577060
carbanide;2,7-ditert-butyl-9-(1-cyclopentylcyclohexyl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;zirconium(4+)
CID 23281341

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 59153577) is 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is CC1CC(C(C)(C)C)CC1CC1C2C=CC=CC2C2C=C(C(C)(C)C)C=CC21.
What is the InChIKey of 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is WUSRFANTKLTKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42/c1-18-14-21(28(5,6)7)15-19(18)16-25-22-10-8-9-11-23(22)26-17-20(27(2,3)4)12-13-24(25)26/h8-13,17-19,21-26H,14-16H2,1-7H3.
What are the key properties of 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?
3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 378.64 g/mol, XLogP of 7.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[(4-tert-butyl-2-methylcyclopentyl)methyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 59153577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).