methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C11H18O2 — CID 46899996

IUPACmethyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C11H18O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h8-10H,1,5-6H2,2-4H3/t8-,9+,10+/m1/s1
InChIKeyRCJDOVCGMGATJJ-UTLUCORTSA-N
MW182.26 g/mol
LogP2.40
Rot. Bonds2

About methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 46899996) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID46899996
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)OC
InChIInChI=1S/C11H18O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h8-10H,1,5-6H2,2-4H3/t8-,9+,10+/m1/s1
InChIKeyRCJDOVCGMGATJJ-UTLUCORTSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 46899996) is methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@@H]1CC[C@@H](C)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is RCJDOVCGMGATJJ-UTLUCORTSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)9-6-5-8(3)10(9)11(12)13-4/h8-10H,1,5-6H2,2-4H3/t8-,9+,10+/m1/s1.
What are the key properties of methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 46899996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).