9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C34H58 — CID 123593546

IUPAC9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCC1CCC(C2(C3C4CC(C(C)(C)C)CCC4C4CCC(C(C)(C)C)CC43)CCC2)C1
InChIInChI=1S/C34H58/c1-8-9-11-23-12-13-26(20-23)34(18-10-19-34)31-29-21-24(32(2,3)4)14-16-27(29)28-17-15-25(22-30(28)31)33(5,6)7/h8,23-31H,1,9-22H2,2-7H3
InChIKeySKEDKXHNYNEBMD-UHFFFAOYSA-N
MW466.84 g/mol
LogP10.33
Rot. Bonds5

About 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 123593546) has the molecular formula C34H58 and a molecular weight of 466.84 g/mol. Its IUPAC name is 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID123593546
Molecular FormulaC34H58
Molecular Weight466.84 g/mol
Exact Mass466.45
IUPAC Name9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCC1CCC(C2(C3C4CC(C(C)(C)C)CCC4C4CCC(C(C)(C)C)CC43)CCC2)C1
InChIInChI=1S/C34H58/c1-8-9-11-23-12-13-26(20-23)34(18-10-19-34)31-29-21-24(32(2,3)4)14-16-27(29)28-17-15-25(22-30(28)31)33(5,6)7/h8,23-31H,1,9-22H2,2-7H3
InChIKeySKEDKXHNYNEBMD-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

2,7-ditert-butyl-9-[1-(3-prop-2-enylcyclopentyl)cyclobutyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123633267
2,7-ditert-butyl-9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91153190
but-3-enylcyclododecane
CID 54074675
9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[1-(3-but-3-enylcyclopentyl)cyclopentyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enylcyclopentyl)propan-2-yl]-2-tert-butyl-7-methyl-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;hexakis(dichlorozirconium(2+));9-[2-(3-pent-4-enylcyclopentyl)propan-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 162277076
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 57039741
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458

Frequently Asked Questions

What is the IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 123593546) is 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is C=CCCC1CCC(C2(C3C4CC(C(C)(C)C)CCC4C4CCC(C(C)(C)C)CC43)CCC2)C1.
What is the InChIKey of 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is SKEDKXHNYNEBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58/c1-8-9-11-23-12-13-26(20-23)34(18-10-19-34)31-29-21-24(32(2,3)4)14-16-27(29)28-17-15-25(22-30(28)31)33(5,6)7/h8,23-31H,1,9-22H2,2-7H3.
What are the key properties of 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 466.84 g/mol, XLogP of 10.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(3-but-3-enylcyclopentyl)cyclobutyl]-2,7-ditert-butyl-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 123593546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).