methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate

C10H16O2 — CID 6536966

IUPACmethyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
SMILESC/C=C/C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-6-7-8(9(11)12-4)10(7,2)3/h5-8H,1-4H3/b6-5+
InChIKeyUKNHEHNRUOKYKB-AATRIKPKSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds2

About methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate

methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate (PubChem CID 6536966) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
PubChem CID6536966
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
SMILESC/C=C/C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C10H16O2/c1-5-6-7-8(9(11)12-4)10(7,2)3/h5-8H,1-4H3/b6-5+
InChIKeyUKNHEHNRUOKYKB-AATRIKPKSA-N
XLogP2.01
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 ≤ 52.01
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 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate (CID 6536966) is methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate is C/C=C/C1C(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate?
The InChIKey is UKNHEHNRUOKYKB-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-6-7-8(9(11)12-4)10(7,2)3/h5-8H,1-4H3/b6-5+.
What are the key properties of methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate?
methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 6536966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).