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

C13H22O — CID 67125708

IUPAC1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane
SMILESC=CCOCCC1(CC=C(C)C)CC1
InChIInChI=1S/C13H22O/c1-4-10-14-11-9-13(7-8-13)6-5-12(2)3/h4-5H,1,6-11H2,2-3H3
InChIKeyNMBPQNREYLBVJR-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds7

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

1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane (PubChem CID 67125708) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane
PubChem CID67125708
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane
SMILESC=CCOCCC1(CC=C(C)C)CC1
InChIInChI=1S/C13H22O/c1-4-10-14-11-9-13(7-8-13)6-5-12(2)3/h4-5H,1,6-11H2,2-3H3
InChIKeyNMBPQNREYLBVJR-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
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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Related Compounds

(4-(Methoxymethyl)pent-4-en-1-ylidene)cyclopropane
CID 56851657
1-(2-(Methoxymethyl)allyl)-1-vinylcyclopropane
CID 56851659
(2E,7E)-5,5-bis(prop-2-enoxymethyl)nona-2,7-diene
CID 101200823
4,5-Dimethyl-2-(prop-2-enoxymethyl)hexa-1,4-diene
CID 12023814
8-Ethenyl-9-methyl-4-methylidene-6-oxaspiro[2.6]non-8-ene
CID 86186354
1-(3-Methylbut-2-enyl)-1-(1-prop-2-enoxyethyl)cyclopropane
CID 58555256
1-(3-Methylbut-2-enyl)-1-(1-prop-2-enoxypropyl)cyclopropane
CID 58555300
1-(3-Methylbut-2-enyl)-1-(3-prop-2-enoxypropyl)cyclopropane
CID 67125617
(3-Methyl-7-prop-2-enoxyhept-2-enyl)cyclopropane
CID 67125618
1-(2-Methoxyethyl)-1-(3-methylbut-2-enyl)cyclopropane
CID 67125627
1-(3-methylbut-2-enyl)-1-[(1R)-1-prop-2-enoxypropyl]cyclopropane
CID 67125641
(3-Methyl-6-prop-2-enoxyhex-2-enyl)cyclopropane
CID 67125710

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane?
The IUPAC name of 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane (CID 67125708) is 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane?
The canonical SMILES for 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane is C=CCOCCC1(CC=C(C)C)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane?
The InChIKey is NMBPQNREYLBVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-10-14-11-9-13(7-8-13)6-5-12(2)3/h4-5H,1,6-11H2,2-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane?
1-(3-methylbut-2-enyl)-1-(2-prop-2-enoxyethyl)cyclopropane has a molecular weight of 194.32 g/mol, XLogP of 3.72, 7 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-(2-prop-2-enoxyethyl)cyclopropane is sourced from PubChem (CID 67125708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).