(7-methoxy-3-methylhept-2-enyl)cyclopropane

C12H22O — CID 67125695

IUPAC(7-methoxy-3-methylhept-2-enyl)cyclopropane
SMILESCOCCCCC(C)=CCC1CC1
InChIInChI=1S/C12H22O/c1-11(5-3-4-10-13-2)6-7-12-8-9-12/h6,12H,3-5,7-10H2,1-2H3
InChIKeyIDSLLJUOZBLKCK-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds7

About (7-methoxy-3-methylhept-2-enyl)cyclopropane

(7-methoxy-3-methylhept-2-enyl)cyclopropane (PubChem CID 67125695) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (7-methoxy-3-methylhept-2-enyl)cyclopropane.

Molecular Properties

Compound Name(7-methoxy-3-methylhept-2-enyl)cyclopropane
PubChem CID67125695
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(7-methoxy-3-methylhept-2-enyl)cyclopropane
SMILESCOCCCCC(C)=CCC1CC1
InChIInChI=1S/C12H22O/c1-11(5-3-4-10-13-2)6-7-12-8-9-12/h6,12H,3-5,7-10H2,1-2H3
InChIKeyIDSLLJUOZBLKCK-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-3-methylhept-2-enyl)cyclopropane?
The IUPAC name of (7-methoxy-3-methylhept-2-enyl)cyclopropane (CID 67125695) is (7-methoxy-3-methylhept-2-enyl)cyclopropane.
What is the SMILES notation for (7-methoxy-3-methylhept-2-enyl)cyclopropane?
The canonical SMILES for (7-methoxy-3-methylhept-2-enyl)cyclopropane is COCCCCC(C)=CCC1CC1.
What is the InChIKey of (7-methoxy-3-methylhept-2-enyl)cyclopropane?
The InChIKey is IDSLLJUOZBLKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(5-3-4-10-13-2)6-7-12-8-9-12/h6,12H,3-5,7-10H2,1-2H3.
What are the key properties of (7-methoxy-3-methylhept-2-enyl)cyclopropane?
(7-methoxy-3-methylhept-2-enyl)cyclopropane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-3-methylhept-2-enyl)cyclopropane is sourced from PubChem (CID 67125695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).