methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate

C14H24O2 — CID 56595630

IUPACmethyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CC[C@@]1(C(=O)OC)[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C14H24O2/c1-6-9-14(13(15)16-5)11(4)7-8-12(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3/t11-,12-,14-/m1/s1
InChIKeyPQWARDVVQFJEPO-YRGRVCCFSA-N
MW224.34 g/mol
LogP3.42
Rot. Bonds4

About methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate

methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate (PubChem CID 56595630) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
PubChem CID56595630
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Namemethyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
SMILESC=CC[C@@]1(C(=O)OC)[C@H](C)CC[C@@H]1C(C)C
InChIInChI=1S/C14H24O2/c1-6-9-14(13(15)16-5)11(4)7-8-12(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3/t11-,12-,14-/m1/s1
InChIKeyPQWARDVVQFJEPO-YRGRVCCFSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate with MolForge

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Related Compounds

Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5,6-dimethyl-1-(1-methylethenyl)-, methyl ester
CID 154413761
(1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid methyl ester
CID 10753324
(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester
CID 14037076
(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-butyric acid methyl ester
CID 14037079
(1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid methyl ester
CID 102444866
Methyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 530353
Methyl 1-allylcyclohexanecarboxylate
CID 10932067
Bicyclo[2.2.1]hept-2-en-5-ylacetoxy-methane
CID 22179016
Methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
CID 13096503
methyl 2-[(1S,2S)-2-ethenyl-1-methyl-5-oxocyclopentyl]acetate
CID 15689885
Ethyl 2-(2-ethenyl-1-methyl-5-oxocyclopentyl)acetate
CID 134901193
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate (CID 56595630) is methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate is C=CC[C@@]1(C(=O)OC)[C@H](C)CC[C@@H]1C(C)C.
What is the InChIKey of methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate?
The InChIKey is PQWARDVVQFJEPO-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-9-14(13(15)16-5)11(4)7-8-12(14)10(2)3/h6,10-12H,1,7-9H2,2-5H3/t11-,12-,14-/m1/s1.
What are the key properties of methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate?
methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate is sourced from PubChem (CID 56595630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).