cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H16O3 — CID 102246219

IUPACcis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(C)=C(O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C10H16O3/c1-5(2)8(11)6-7(9(12)13)10(6,3)4/h6-7,11H,1-4H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyBKBSPGXQUZWXTM-RQJHMYQMSA-N
MW184.23 g/mol
LogP2.20
Rot. Bonds2

About cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 102246219) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID102246219
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namecis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC(C)=C(O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C10H16O3/c1-5(2)8(11)6-7(9(12)13)10(6,3)4/h6-7,11H,1-4H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyBKBSPGXQUZWXTM-RQJHMYQMSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 102246219) is cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC(C)=C(O)[C@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BKBSPGXQUZWXTM-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H16O3/c1-5(2)8(11)6-7(9(12)13)10(6,3)4/h6-7,11H,1-4H3,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 102246219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).