1-(9H-fluoren-9-yl)pentyl formate

C19H20O2 — CID 57002475

IUPAC1-(9H-fluoren-9-yl)pentyl formate
SMILESCCCCC(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-2-3-12-18(21-13-20)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13,18-19H,2-3,12H2,1H3
InChIKeyBBWCUSCZBHVSKT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.53
Rot. Bonds6

About 1-(9H-fluoren-9-yl)pentyl formate

1-(9H-fluoren-9-yl)pentyl formate (PubChem CID 57002475) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)pentyl formate.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)pentyl formate
PubChem CID57002475
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-(9H-fluoren-9-yl)pentyl formate
SMILESCCCCC(OC=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-2-3-12-18(21-13-20)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13,18-19H,2-3,12H2,1H3
InChIKeyBBWCUSCZBHVSKT-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
CID 91019013
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
CID 174060552
1-phenylpentyl formate
CID 54289292
[1-(9H-fluoren-9-yl)-2-oxopropyl] formate
CID 56631789
9-hexan-2-yloxy-9H-fluorene
CID 126552429
dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564
1-phenylnonyl formate
CID 174585088
1-phenylheptyl formate
CID 174746901
1-phenyldodecyl formate
CID 91598065
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
[2-formyloxy-2-(11H-indeno[2,3-b]quinoxalin-11-yl)ethyl] formate
CID 169031683

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)pentyl formate?
The IUPAC name of 1-(9H-fluoren-9-yl)pentyl formate (CID 57002475) is 1-(9H-fluoren-9-yl)pentyl formate.
What is the SMILES notation for 1-(9H-fluoren-9-yl)pentyl formate?
The canonical SMILES for 1-(9H-fluoren-9-yl)pentyl formate is CCCCC(OC=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)pentyl formate?
The InChIKey is BBWCUSCZBHVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-2-3-12-18(21-13-20)19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-11,13,18-19H,2-3,12H2,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)pentyl formate?
1-(9H-fluoren-9-yl)pentyl formate has a molecular weight of 280.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)pentyl formate is sourced from PubChem (CID 57002475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).