1-tert-butyl-2-decyl-9H-fluorene

C27H38 — CID 160798357

IUPAC1-tert-butyl-2-decyl-9H-fluorene
SMILESCCCCCCCCCCc1ccc2c(c1C(C)(C)C)Cc1ccccc1-2
InChIInChI=1S/C27H38/c1-5-6-7-8-9-10-11-12-15-21-18-19-24-23-17-14-13-16-22(23)20-25(24)26(21)27(2,3)4/h13-14,16-19H,5-12,15,20H2,1-4H3
InChIKeySCSTVNDAPPJPKB-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.24
Rot. Bonds9

About 1-tert-butyl-2-decyl-9H-fluorene

1-tert-butyl-2-decyl-9H-fluorene (PubChem CID 160798357) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-tert-butyl-2-decyl-9H-fluorene.

Molecular Properties

Compound Name1-tert-butyl-2-decyl-9H-fluorene
PubChem CID160798357
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name1-tert-butyl-2-decyl-9H-fluorene
SMILESCCCCCCCCCCc1ccc2c(c1C(C)(C)C)Cc1ccccc1-2
InChIInChI=1S/C27H38/c1-5-6-7-8-9-10-11-12-15-21-18-19-24-23-17-14-13-16-22(23)20-25(24)26(21)27(2,3)4/h13-14,16-19H,5-12,15,20H2,1-4H3
InChIKeySCSTVNDAPPJPKB-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1-hexyl-9H-fluoren-2-amine
CID 57359668
9H-fluorene;henicosane
CID 174789372
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-decyl-9H-fluorene?
The IUPAC name of 1-tert-butyl-2-decyl-9H-fluorene (CID 160798357) is 1-tert-butyl-2-decyl-9H-fluorene.
What is the SMILES notation for 1-tert-butyl-2-decyl-9H-fluorene?
The canonical SMILES for 1-tert-butyl-2-decyl-9H-fluorene is CCCCCCCCCCc1ccc2c(c1C(C)(C)C)Cc1ccccc1-2.
What is the InChIKey of 1-tert-butyl-2-decyl-9H-fluorene?
The InChIKey is SCSTVNDAPPJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-5-6-7-8-9-10-11-12-15-21-18-19-24-23-17-14-13-16-22(23)20-25(24)26(21)27(2,3)4/h13-14,16-19H,5-12,15,20H2,1-4H3.
What are the key properties of 1-tert-butyl-2-decyl-9H-fluorene?
1-tert-butyl-2-decyl-9H-fluorene has a molecular weight of 362.60 g/mol, XLogP of 8.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-decyl-9H-fluorene is sourced from PubChem (CID 160798357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).