2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene

C32H48 — CID 144816897

IUPAC2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(C)(C1CCCC1)C1C2C=C(CCCC)C=CC2C2C=CC(CCCC)=CC21
InChIInChI=1S/C32H48/c1-5-8-13-24-17-19-27-28-20-18-25(14-9-6-2)23-30(28)31(29(27)22-24)32(4,21-10-7-3)26-15-11-12-16-26/h7,17-20,22-23,26-31H,3,5-6,8-16,21H2,1-2,4H3
InChIKeyVCFTYFNLDTXWGH-UHFFFAOYSA-N
MW432.74 g/mol
LogP9.62
Rot. Bonds11

About 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene

2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 144816897) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID144816897
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(C)(C1CCCC1)C1C2C=C(CCCC)C=CC2C2C=CC(CCCC)=CC21
InChIInChI=1S/C32H48/c1-5-8-13-24-17-19-27-28-20-18-25(14-9-6-2)23-30(28)31(29(27)22-24)32(4,21-10-7-3)26-15-11-12-16-26/h7,17-20,22-23,26-31H,3,5-6,8-16,21H2,1-2,4H3
InChIKeyVCFTYFNLDTXWGH-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Related Compounds

carbanide;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;dichlorozirconium(2+)
CID 162276882
(4aS)-2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4,4a,4b,5,6,8a,9,9a-octahydro-3H-fluorene
CID 176838554
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
butylcyclopentane;2-tert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(dichlorozirconium(2+));1-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene
CID 162276918
[3-[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)methyl]cyclopentyl]-but-3-enyl-dimethylsilane;2-tert-butyl-9-(2-cyclopentylhept-6-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;2-tert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;9-(2-cyclopentylhept-6-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;hexakis(dichlorozirconium(2+));9-[[3-(2-methylhex-5-en-2-yl)cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162276833
9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))
CID 162276874
2-butyl-5-methylcyclopenta-1,3-diene;zirconium
CID 174290613
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
1-(2-methylhex-5-en-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123685211
2-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174487779
2-butyl-5-methylcyclopenta-1,3-diene;difluorozirconium
CID 174700660
2-(2-cyclopentyl-2-methylhex-5-enyl)piperidine
CID 58418700

Frequently Asked Questions

What is the IUPAC name of 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 144816897) is 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene is C=CCCC(C)(C1CCCC1)C1C2C=C(CCCC)C=CC2C2C=CC(CCCC)=CC21.
What is the InChIKey of 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is VCFTYFNLDTXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48/c1-5-8-13-24-17-19-27-28-20-18-25(14-9-6-2)23-30(28)31(29(27)22-24)32(4,21-10-7-3)26-15-11-12-16-26/h7,17-20,22-23,26-31H,3,5-6,8-16,21H2,1-2,4H3.
What are the key properties of 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene?
2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 432.74 g/mol, XLogP of 9.62, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibutyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 144816897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).