9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C30H44 — CID 58883143

IUPAC9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCCC(c1ccccc1)(C1CCCC1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C30H44/c1-2-3-13-22-30(24-16-7-8-17-24,23-14-5-4-6-15-23)29-27-20-11-9-18-25(27)26-19-10-12-21-28(26)29/h2,4-6,14-15,24-29H,1,3,7-13,16-22H2
InChIKeyGGINQOKLJBBMBF-UHFFFAOYSA-N
MW404.68 g/mol
LogP8.71
Rot. Bonds7

About 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 58883143) has the molecular formula C30H44 and a molecular weight of 404.68 g/mol. Its IUPAC name is 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID58883143
Molecular FormulaC30H44
Molecular Weight404.68 g/mol
Exact Mass404.34
IUPAC Name9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESC=CCCCC(c1ccccc1)(C1CCCC1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C30H44/c1-2-3-13-22-30(24-16-7-8-17-24,23-14-5-4-6-15-23)29-27-20-11-9-18-25(27)26-19-10-12-21-28(26)29/h2,4-6,14-15,24-29H,1,3,7-13,16-22H2
InChIKeyGGINQOKLJBBMBF-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 58883143) is 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is C=CCCCC(c1ccccc1)(C1CCCC1)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is GGINQOKLJBBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44/c1-2-3-13-22-30(24-16-7-8-17-24,23-14-5-4-6-15-23)29-27-20-11-9-18-25(27)26-19-10-12-21-28(26)29/h2,4-6,14-15,24-29H,1,3,7-13,16-22H2.
What are the key properties of 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 404.68 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 58883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).