1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane

C14H24O — CID 67125617

IUPAC1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane
SMILESC=CCOCCCC1(CC=C(C)C)CC1
InChIInChI=1S/C14H24O/c1-4-11-15-12-5-7-14(9-10-14)8-6-13(2)3/h4,6H,1,5,7-12H2,2-3H3
InChIKeyUVZOJUGOSZEKRL-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.11
Rot. Bonds8

About 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane

1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane (PubChem CID 67125617) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane
PubChem CID67125617
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane
SMILESC=CCOCCCC1(CC=C(C)C)CC1
InChIInChI=1S/C14H24O/c1-4-11-15-12-5-7-14(9-10-14)8-6-13(2)3/h4,6H,1,5,7-12H2,2-3H3
InChIKeyUVZOJUGOSZEKRL-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.11
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 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane?
The IUPAC name of 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane (CID 67125617) is 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane?
The canonical SMILES for 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane is C=CCOCCCC1(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane?
The InChIKey is UVZOJUGOSZEKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-11-15-12-5-7-14(9-10-14)8-6-13(2)3/h4,6H,1,5,7-12H2,2-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane?
1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane has a molecular weight of 208.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane is sourced from PubChem (CID 67125617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).