(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid

C10H16O2 — CID 130705836

IUPAC(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid
SMILESCC(C)=C1CCC(C)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h7,9H,4-5H2,1-3H3,(H,11,12)/t7?,9-/m0/s1
InChIKeySKBWDVLEVXFVRI-NETXQHHPSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds1

About (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid

(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid (PubChem CID 130705836) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid
PubChem CID130705836
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid
SMILESCC(C)=C1CCC(C)[C@@H]1C(=O)O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h7,9H,4-5H2,1-3H3,(H,11,12)/t7?,9-/m0/s1
InChIKeySKBWDVLEVXFVRI-NETXQHHPSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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 (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid?
The IUPAC name of (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid (CID 130705836) is (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid is CC(C)=C1CCC(C)[C@@H]1C(=O)O.
What is the InChIKey of (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid?
The InChIKey is SKBWDVLEVXFVRI-NETXQHHPSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(8)10(11)12/h7,9H,4-5H2,1-3H3,(H,11,12)/t7?,9-/m0/s1.
What are the key properties of (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid?
(1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-5-propan-2-ylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 130705836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).