(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate

C15H22O2 — CID 155012143

IUPAC(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
SMILESCC1(OC(=O)CC23C=CC(CC2)C3)CCCC1
InChIInChI=1S/C15H22O2/c1-14(6-2-3-7-14)17-13(16)11-15-8-4-12(10-15)5-9-15/h4,8,12H,2-3,5-7,9-11H2,1H3
InChIKeyKUSDHXSSCBACBQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds3

About (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate

(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate (PubChem CID 155012143) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
PubChem CID155012143
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
SMILESCC1(OC(=O)CC23C=CC(CC2)C3)CCCC1
InChIInChI=1S/C15H22O2/c1-14(6-2-3-7-14)17-13(16)11-15-8-4-12(10-15)5-9-15/h4,8,12H,2-3,5-7,9-11H2,1H3
InChIKeyKUSDHXSSCBACBQ-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methylcyclohexyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate
CID 155045374
methyl 2-(1-bicyclo[2.2.1]hept-2-enylmethyl)prop-2-enoate
CID 139688530
1-(1-bicyclo[2.2.1]hept-2-enyl)-3,4-dichlorobutan-2-one
CID 87441997
3-(1-methylcyclopentyl)oxy-3-oxopropanoic acid
CID 170442705
1-O-methyl 4-O-(1-methylcyclopentyl) butanedioate
CID 177097528
3-(1-bicyclo[2.2.1]hept-2-enyl)propyl 2-methylprop-2-eneperoxoate
CID 176907341
(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
CID 141272165
2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-hydroxy-silylsilane
CID 173085538
3-[3-(1-methylcyclopentyl)oxy-3-oxopropyl]sulfanylpropanoic acid
CID 69279413
1-(2-cyclohexylpropan-2-yl)bicyclo[2.2.1]hept-2-ene;(1-methylcyclohexyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 159301028
(1-methylcyclohexyl) 2-(7-hydroxy-2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 155012088

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate?
The IUPAC name of (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate (CID 155012143) is (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate.
What is the SMILES notation for (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate?
The canonical SMILES for (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate is CC1(OC(=O)CC23C=CC(CC2)C3)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate?
The InChIKey is KUSDHXSSCBACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(6-2-3-7-14)17-13(16)11-15-8-4-12(10-15)5-9-15/h4,8,12H,2-3,5-7,9-11H2,1H3.
What are the key properties of (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate?
(1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate has a molecular weight of 234.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-(1-bicyclo[2.2.1]hept-2-enyl)acetate is sourced from PubChem (CID 155012143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).