2-spiro[2.3]hexan-6-ylacetic acid

C8H12O2 — CID 121207798

IUPAC2-spiro[2.3]hexan-6-ylacetic acid
SMILESO=C(O)CC1CCC12CC2
InChIInChI=1S/C8H12O2/c9-7(10)5-6-1-2-8(6)3-4-8/h6H,1-5H2,(H,9,10)
InChIKeyLDTVTJFDAIZQPD-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.65
Rot. Bonds2

About 2-spiro[2.3]hexan-6-ylacetic acid

2-spiro[2.3]hexan-6-ylacetic acid (PubChem CID 121207798) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-spiro[2.3]hexan-6-ylacetic acid.

Molecular Properties

Compound Name2-spiro[2.3]hexan-6-ylacetic acid
PubChem CID121207798
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-spiro[2.3]hexan-6-ylacetic acid
SMILESO=C(O)CC1CCC12CC2
InChIInChI=1S/C8H12O2/c9-7(10)5-6-1-2-8(6)3-4-8/h6H,1-5H2,(H,9,10)
InChIKeyLDTVTJFDAIZQPD-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[2,3-dimethyl-2,3-di(propan-2-yl)cyclopentyl]acetic acid
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2-(5,5-difluorothiepan-4-yl)acetic acid
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2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
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2-[(3aR,4R,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]furan-4-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-spiro[2.3]hexan-6-ylacetic acid?
The IUPAC name of 2-spiro[2.3]hexan-6-ylacetic acid (CID 121207798) is 2-spiro[2.3]hexan-6-ylacetic acid.
What is the SMILES notation for 2-spiro[2.3]hexan-6-ylacetic acid?
The canonical SMILES for 2-spiro[2.3]hexan-6-ylacetic acid is O=C(O)CC1CCC12CC2.
What is the InChIKey of 2-spiro[2.3]hexan-6-ylacetic acid?
The InChIKey is LDTVTJFDAIZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7(10)5-6-1-2-8(6)3-4-8/h6H,1-5H2,(H,9,10).
What are the key properties of 2-spiro[2.3]hexan-6-ylacetic acid?
2-spiro[2.3]hexan-6-ylacetic acid has a molecular weight of 140.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.3]hexan-6-ylacetic acid is sourced from PubChem (CID 121207798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).