tert-butyl spiro[4.5]decane-4-carboxylate

C15H26O2 — CID 66658048

IUPACtert-butyl spiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC12CCCCC2
InChIInChI=1S/C15H26O2/c1-14(2,3)17-13(16)12-8-7-11-15(12)9-5-4-6-10-15/h12H,4-11H2,1-3H3
InChIKeyVQDPJNNOVFOHOP-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl spiro[4.5]decane-4-carboxylate

tert-butyl spiro[4.5]decane-4-carboxylate (PubChem CID 66658048) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is tert-butyl spiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[4.5]decane-4-carboxylate
PubChem CID66658048
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nametert-butyl spiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCC12CCCCC2
InChIInChI=1S/C15H26O2/c1-14(2,3)17-13(16)12-8-7-11-15(12)9-5-4-6-10-15/h12H,4-11H2,1-3H3
InChIKeyVQDPJNNOVFOHOP-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97115095
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CID 25258079
tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
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tert-butyl cyclododecanecarboxylate
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tert-butyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 24973135
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
1-O-tert-butyl 2-O-methyl 1-hydroxycyclohexane-1,2-dicarboxylate
CID 141117000
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl 2,2-difluoro-5-hydroxycyclohexane-1-carboxylate
CID 57058666

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl spiro[4.5]decane-4-carboxylate (CID 66658048) is tert-butyl spiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl spiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl spiro[4.5]decane-4-carboxylate is CC(C)(C)OC(=O)C1CCCC12CCCCC2.
What is the InChIKey of tert-butyl spiro[4.5]decane-4-carboxylate?
The InChIKey is VQDPJNNOVFOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2,3)17-13(16)12-8-7-11-15(12)9-5-4-6-10-15/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl spiro[4.5]decane-4-carboxylate?
tert-butyl spiro[4.5]decane-4-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 66658048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).