(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid

C14H22O4 — CID 56595626

IUPAC(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)O
InChIInChI=1S/C14H22O4/c1-9(2)11-5-4-10(3)14(11,13(15)16)8-12-17-6-7-18-12/h10-12H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-,14-/m1/s1
InChIKeyDMSBDGJIRGFYIM-JTNHKYCSSA-N
MW254.33 g/mol
LogP2.44
Rot. Bonds4

About (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid

(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid (PubChem CID 56595626) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
PubChem CID56595626
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)O
InChIInChI=1S/C14H22O4/c1-9(2)11-5-4-10(3)14(11,13(15)16)8-12-17-6-7-18-12/h10-12H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-,14-/m1/s1
InChIKeyDMSBDGJIRGFYIM-JTNHKYCSSA-N
XLogP2.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3-methylenecyclopentanecarboxylate
CID 539518
methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 56595627
Methyl 2-(1-methoxyethoxymethyl)-1-methyl-3-methylidenecyclopentane-1-carboxylate
CID 69546448
5-Hydroxy-4-(4,4,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)oxolan-2-one
CID 130382765
ethyl (1S)-1-(1,3-dioxolan-2-ylmethyl)-2-methylidenecyclopentane-1-carboxylate
CID 132541146
(1S,2R,5S)-2-methyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid
CID 23253115

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid (CID 56595626) is (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid is C=C(C)[C@H]1CC[C@@H](C)[C@@]1(CC1OCCO1)C(=O)O.
What is the InChIKey of (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is DMSBDGJIRGFYIM-JTNHKYCSSA-N. The full InChI is InChI=1S/C14H22O4/c1-9(2)11-5-4-10(3)14(11,13(15)16)8-12-17-6-7-18-12/h10-12H,1,4-8H2,2-3H3,(H,15,16)/t10-,11-,14-/m1/s1.
What are the key properties of (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid?
(1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 56595626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).