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

C27H38 — CID 151429799

IUPAC1-butyl-2-decyl-9H-fluorene
SMILESCCCCCCCCCCc1ccc2c(c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C27H38/c1-3-5-7-8-9-10-11-12-15-22-19-20-26-25-18-14-13-16-23(25)21-27(26)24(22)17-6-4-2/h13-14,16,18-20H,3-12,15,17,21H2,1-2H3
InChIKeyPCHCJKVVJDXTMJ-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.28
Rot. Bonds12

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

1-butyl-2-decyl-9H-fluorene (PubChem CID 151429799) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-butyl-2-decyl-9H-fluorene.

Molecular Properties

Compound Name1-butyl-2-decyl-9H-fluorene
PubChem CID151429799
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Name1-butyl-2-decyl-9H-fluorene
SMILESCCCCCCCCCCc1ccc2c(c1CCCC)Cc1ccccc1-2
InChIInChI=1S/C27H38/c1-3-5-7-8-9-10-11-12-15-22-19-20-26-25-18-14-13-16-23(25)21-27(26)24(22)17-6-4-2/h13-14,16,18-20H,3-12,15,17,21H2,1-2H3
InChIKeyPCHCJKVVJDXTMJ-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.28
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
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1-hexyl-9H-fluoren-2-amine
CID 57359668
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
1,2,3-tributyl-9H-fluorene
CID 90984374
3,4-dioctyl-9H-fluorene
CID 173498709
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
CID 141103230
2-butyl-1-phenyl-9H-fluorene
CID 154085968

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-decyl-9H-fluorene?
The IUPAC name of 1-butyl-2-decyl-9H-fluorene (CID 151429799) is 1-butyl-2-decyl-9H-fluorene.
What is the SMILES notation for 1-butyl-2-decyl-9H-fluorene?
The canonical SMILES for 1-butyl-2-decyl-9H-fluorene is CCCCCCCCCCc1ccc2c(c1CCCC)Cc1ccccc1-2.
What is the InChIKey of 1-butyl-2-decyl-9H-fluorene?
The InChIKey is PCHCJKVVJDXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-3-5-7-8-9-10-11-12-15-22-19-20-26-25-18-14-13-16-23(25)21-27(26)24(22)17-6-4-2/h13-14,16,18-20H,3-12,15,17,21H2,1-2H3.
What are the key properties of 1-butyl-2-decyl-9H-fluorene?
1-butyl-2-decyl-9H-fluorene has a molecular weight of 362.60 g/mol, XLogP of 8.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-decyl-9H-fluorene is sourced from PubChem (CID 151429799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).