cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid

C12H18O2 — CID 88778593

IUPACcis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid
SMILESCC=CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C12H18O2/c1-5-6-8(2)7-9-10(11(13)14)12(9,3)4/h5-7,9-10H,1-4H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyKARJDWVHWYFICE-ZJUUUORDSA-N
MW194.27 g/mol
LogP2.87
Rot. Bonds3

About cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid

cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid (PubChem CID 88778593) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid
PubChem CID88778593
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid
SMILESCC=CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C12H18O2/c1-5-6-8(2)7-9-10(11(13)14)12(9,3)4/h5-7,9-10H,1-4H3,(H,13,14)/t9-,10+/m1/s1
InChIKeyKARJDWVHWYFICE-ZJUUUORDSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid (CID 88778593) is cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid is CC=CC(C)=C[C@@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid?
The InChIKey is KARJDWVHWYFICE-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-6-8(2)7-9-10(11(13)14)12(9,3)4/h5-7,9-10H,1-4H3,(H,13,14)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid?
cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid has a molecular weight of 194.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-3-(2-methylpenta-1,3-dienyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 88778593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).