2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane

C14H26 — CID 123762865

IUPAC2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane
SMILESC=CC1C(CCC(C)C)C1(C)C(C)C
InChIInChI=1S/C14H26/c1-7-12-13(9-8-10(2)3)14(12,6)11(4)5/h7,10-13H,1,8-9H2,2-6H3
InChIKeyFJYDWZHGZBFNCO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.52
Rot. Bonds5

About 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane

2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane (PubChem CID 123762865) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane
PubChem CID123762865
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane
SMILESC=CC1C(CCC(C)C)C1(C)C(C)C
InChIInChI=1S/C14H26/c1-7-12-13(9-8-10(2)3)14(12,6)11(4)5/h7,10-13H,1,8-9H2,2-6H3
InChIKeyFJYDWZHGZBFNCO-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
CID 123420159
(3R)-2,2-dimethyl-3-(3-methylbutyl)oxirane
CID 59051060
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
1,2-dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
CID 91019597
1,1,2-trimethyl-4-(3-methylbutyl)cyclobutane
CID 123981363
1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane
CID 123995287
2-ethyl-1-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
5,5-dimethyl-2-(3-methylbutyl)cyclohexane-1,3-dione
CID 71332501
2,3-dimethyl-2-propan-2-yl-1-prop-2-enylpyrrolidine
CID 176727262
(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
CID 71197468
2,4,8-trimethyl-7-(3-methylbutyl)-8-prop-2-enylbicyclo[4.2.0]octa-1,3,5-triene
CID 166467456
26-methylheptacos-1-ene
CID 154926473

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane?
The IUPAC name of 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane (CID 123762865) is 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane.
What is the SMILES notation for 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane?
The canonical SMILES for 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane is C=CC1C(CCC(C)C)C1(C)C(C)C.
What is the InChIKey of 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane?
The InChIKey is FJYDWZHGZBFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-7-12-13(9-8-10(2)3)14(12,6)11(4)5/h7,10-13H,1,8-9H2,2-6H3.
What are the key properties of 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane?
2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane has a molecular weight of 194.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-3-(3-methylbutyl)-1-propan-2-ylcyclopropane is sourced from PubChem (CID 123762865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).