methyl 2-propan-2-ylcyclopentene-1-carboxylate

C10H16O2 — CID 90076425

IUPACmethyl 2-propan-2-ylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C(C)C)CCC1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-4-6-9(8)10(11)12-3/h7H,4-6H2,1-3H3
InChIKeyCUCBJLQCHDMMPR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About methyl 2-propan-2-ylcyclopentene-1-carboxylate

methyl 2-propan-2-ylcyclopentene-1-carboxylate (PubChem CID 90076425) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-propan-2-ylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-ylcyclopentene-1-carboxylate
PubChem CID90076425
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-propan-2-ylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C(C)C)CCC1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-4-6-9(8)10(11)12-3/h7H,4-6H2,1-3H3
InChIKeyCUCBJLQCHDMMPR-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-ylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2-propan-2-ylcyclopentene-1-carboxylate (CID 90076425) is methyl 2-propan-2-ylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-propan-2-ylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-propan-2-ylcyclopentene-1-carboxylate is COC(=O)C1=C(C(C)C)CCC1.
What is the InChIKey of methyl 2-propan-2-ylcyclopentene-1-carboxylate?
The InChIKey is CUCBJLQCHDMMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-5-4-6-9(8)10(11)12-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 2-propan-2-ylcyclopentene-1-carboxylate?
methyl 2-propan-2-ylcyclopentene-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-ylcyclopentene-1-carboxylate is sourced from PubChem (CID 90076425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).