(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid

C15H26O2 — CID 67001246

IUPAC(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid
SMILESCC(C)=C1C[C@H](CCC[C@@H](C)C(=O)O)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-6-7-11(3)14(16)17/h11-12H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1
InChIKeySWASIGJZPPYOMB-NEPJUHHUSA-N
MW238.37 g/mol
LogP4.26
Rot. Bonds5

About (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid

(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid (PubChem CID 67001246) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid
PubChem CID67001246
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid
SMILESCC(C)=C1C[C@H](CCC[C@@H](C)C(=O)O)C1(C)C
InChIInChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-6-7-11(3)14(16)17/h11-12H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1
InChIKeySWASIGJZPPYOMB-NEPJUHHUSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid?
The IUPAC name of (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid (CID 67001246) is (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid.
What is the SMILES notation for (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid?
The canonical SMILES for (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid is CC(C)=C1C[C@H](CCC[C@@H](C)C(=O)O)C1(C)C.
What is the InChIKey of (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid?
The InChIKey is SWASIGJZPPYOMB-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)13-9-12(15(13,4)5)8-6-7-11(3)14(16)17/h11-12H,6-9H2,1-5H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid?
(2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(1S)-2,2-dimethyl-3-propan-2-ylidenecyclobutyl]-2-methylpentanoic acid is sourced from PubChem (CID 67001246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).