1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane

C12H22O — CID 58555281

IUPAC1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane
SMILESCCC(OC)C1(CC=C(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-11(13-4)12(8-9-12)7-6-10(2)3/h6,11H,5,7-9H2,1-4H3
InChIKeyJRYQQBORPDXECX-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds5

About 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane

1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane (PubChem CID 58555281) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane.

Molecular Properties

Compound Name1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane
PubChem CID58555281
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane
SMILESCCC(OC)C1(CC=C(C)C)CC1
InChIInChI=1S/C12H22O/c1-5-11(13-4)12(8-9-12)7-6-10(2)3/h6,11H,5,7-9H2,1-4H3
InChIKeyJRYQQBORPDXECX-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane?
The IUPAC name of 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane (CID 58555281) is 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane.
What is the SMILES notation for 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane?
The canonical SMILES for 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane is CCC(OC)C1(CC=C(C)C)CC1.
What is the InChIKey of 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane?
The InChIKey is JRYQQBORPDXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-11(13-4)12(8-9-12)7-6-10(2)3/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane?
1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)-1-(3-methylbut-2-enyl)cyclopropane is sourced from PubChem (CID 58555281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).