6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid

C16H26O4 — CID 67007096

IUPAC6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid
SMILESCCC1(C(=O)O)CCC2(CC2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26O4/c1-5-16(13(18)19)9-8-15(6-7-15)10-11(16)12(17)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyVAVXVRYEDSVHRA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.39
Rot. Bonds3

About 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid

6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid (PubChem CID 67007096) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid
PubChem CID67007096
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid
SMILESCCC1(C(=O)O)CCC2(CC2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26O4/c1-5-16(13(18)19)9-8-15(6-7-15)10-11(16)12(17)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19)
InChIKeyVAVXVRYEDSVHRA-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid with MolForge

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Related Compounds

trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
3-amino-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 84809861
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122670168
tert-butyl spiro[4.5]decane-4-carboxylate
CID 66658048
tert-butyl (2R)-2-carbamoyl-2-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
CID 59978643
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid (CID 67007096) is 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid is CCC1(C(=O)O)CCC2(CC2)CC1C(=O)OC(C)(C)C.
What is the InChIKey of 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid?
The InChIKey is VAVXVRYEDSVHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-16(13(18)19)9-8-15(6-7-15)10-11(16)12(17)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid?
6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 67007096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).