benzyl spiro[2.5]octane-6-carboxylate

C16H20O2 — CID 66817825

IUPACbenzyl spiro[2.5]octane-6-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC2(CC1)CC2
InChIInChI=1S/C16H20O2/c17-15(18-12-13-4-2-1-3-5-13)14-6-8-16(9-7-14)10-11-16/h1-5,14H,6-12H2
InChIKeyFKKXADDXNORTQE-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.70
Rot. Bonds3

About benzyl spiro[2.5]octane-6-carboxylate

benzyl spiro[2.5]octane-6-carboxylate (PubChem CID 66817825) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is benzyl spiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Namebenzyl spiro[2.5]octane-6-carboxylate
PubChem CID66817825
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namebenzyl spiro[2.5]octane-6-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC2(CC1)CC2
InChIInChI=1S/C16H20O2/c17-15(18-12-13-4-2-1-3-5-13)14-6-8-16(9-7-14)10-11-16/h1-5,14H,6-12H2
InChIKeyFKKXADDXNORTQE-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2-oxospiro[3.4]octane-7-carboxylate
CID 178071153
benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate
CID 175911999
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136

Frequently Asked Questions

What is the IUPAC name of benzyl spiro[2.5]octane-6-carboxylate?
The IUPAC name of benzyl spiro[2.5]octane-6-carboxylate (CID 66817825) is benzyl spiro[2.5]octane-6-carboxylate.
What is the SMILES notation for benzyl spiro[2.5]octane-6-carboxylate?
The canonical SMILES for benzyl spiro[2.5]octane-6-carboxylate is O=C(OCc1ccccc1)C1CCC2(CC1)CC2.
What is the InChIKey of benzyl spiro[2.5]octane-6-carboxylate?
The InChIKey is FKKXADDXNORTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15(18-12-13-4-2-1-3-5-13)14-6-8-16(9-7-14)10-11-16/h1-5,14H,6-12H2.
What are the key properties of benzyl spiro[2.5]octane-6-carboxylate?
benzyl spiro[2.5]octane-6-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl spiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 66817825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).