9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

C37H46 — CID 58085568

IUPAC9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C37H46/c1-6-7-12-25(36-31-15-10-8-13-27(31)28-14-9-11-16-32(28)36)22-34-33-21-24(2)17-19-29(33)30-20-18-26(23-35(30)34)37(3,4)5/h6,8-11,13-21,23,25,27-36H,1,7,12,22H2,2-5H3
InChIKeyAVZGMCOWJKEENC-UHFFFAOYSA-N
MW490.78 g/mol
LogP9.46
Rot. Bonds6

About 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 58085568) has the molecular formula C37H46 and a molecular weight of 490.78 g/mol. Its IUPAC name is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

Compound Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
PubChem CID58085568
Molecular FormulaC37H46
Molecular Weight490.78 g/mol
Exact Mass490.36
IUPAC Name9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
SMILESC=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C37H46/c1-6-7-12-25(36-31-15-10-8-13-27(31)28-14-9-11-16-32(28)36)22-34-33-21-24(2)17-19-29(33)30-20-18-26(23-35(30)34)37(3,4)5/h6,8-11,13-21,23,25,27-36H,1,7,12,22H2,2-5H3
InChIKeyAVZGMCOWJKEENC-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.78
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The IUPAC name of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 58085568) is 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene.
What is the SMILES notation for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The canonical SMILES for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
The InChIKey is AVZGMCOWJKEENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46/c1-6-7-12-25(36-31-15-10-8-13-27(31)28-14-9-11-16-32(28)36)22-34-33-21-24(2)17-19-29(33)30-20-18-26(23-35(30)34)37(3,4)5/h6,8-11,13-21,23,25,27-36H,1,7,12,22H2,2-5H3.
What are the key properties of 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene?
9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 490.78 g/mol, XLogP of 9.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 58085568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).