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

C34H60 — CID 91153190

IUPAC2,7-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
SMILESC=CCCCC1CCC(C(C)(C)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1
InChIInChI=1S/C34H60/c1-10-11-12-13-23-14-15-26(20-23)34(8,9)31-29-21-24(32(2,3)4)16-18-27(29)28-19-17-25(22-30(28)31)33(5,6)7/h10,23-31H,1,11-22H2,2-9H3
InChIKeyUYSDKGKVVUZPJQ-UHFFFAOYSA-N
MW468.85 g/mol
LogP10.57
Rot. Bonds6

About 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

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 (PubChem CID 91153190) has the molecular formula C34H60 and a molecular weight of 468.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-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
PubChem CID91153190
Molecular FormulaC34H60
Molecular Weight468.85 g/mol
Exact Mass468.47
IUPAC Name2,7-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
SMILESC=CCCCC1CCC(C(C)(C)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1
InChIInChI=1S/C34H60/c1-10-11-12-13-23-14-15-26(20-23)34(8,9)31-29-21-24(32(2,3)4)16-18-27(29)28-19-17-25(22-30(28)31)33(5,6)7/h10,23-31H,1,11-22H2,2-9H3
InChIKeyUYSDKGKVVUZPJQ-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.85
LogP ≤ 510.57
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'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCCCC1CCC(C(C)(C)C2C3CC(C(C)(C)C)CCC3C3CCC(C(C)(C)C)CC32)C1.
What is the InChIKey of 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?
The InChIKey is UYSDKGKVVUZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60/c1-10-11-12-13-23-14-15-26(20-23)34(8,9)31-29-21-24(32(2,3)4)16-18-27(29)28-19-17-25(22-30(28)31)33(5,6)7/h10,23-31H,1,11-22H2,2-9H3.
What are the key properties of 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?
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 has a molecular weight of 468.85 g/mol, XLogP of 10.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91153190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).