1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane

C15H28 — CID 123928850

IUPAC1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C(CC)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H28/c1-9-12(13(4,5)6)15(11(2)3)10-14(15,7)8/h12H,2,9-10H2,1,3-8H3
InChIKeySUCHCJDKABRDRL-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.05
Rot. Bonds3

About 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane

1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane (PubChem CID 123928850) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
PubChem CID123928850
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
SMILESC=C(C)C1(C(CC)C(C)(C)C)CC1(C)C
InChIInChI=1S/C15H28/c1-9-12(13(4,5)6)15(11(2)3)10-14(15,7)8/h12H,2,9-10H2,1,3-8H3
InChIKeySUCHCJDKABRDRL-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.05
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

1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane
CID 172765062
1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane
CID 165174323
1,1-dicyclohexylethyl 2,2-dimethyl-1-(2-methylpentan-3-yl)cyclopropane-1-carboxylate
CID 91018179
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
3-ethyl-3-prop-1-en-2-ylcyclopropyne
CID 90877406
1,1,2-trimethyl-2-(3-methylpentan-3-yl)cyclopropane
CID 142046748
2-ethyl-1,1-dimethyl-3-(2,6,7,7-tetramethyl-5-methylideneoct-1-en-3-yl)cyclopropane
CID 142110282
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[3-methyl-3-(methylamino)pentan-2-yl] 2-methylprop-2-enoate
CID 91213887
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane (CID 123928850) is 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane is C=C(C)C1(C(CC)C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane?
The InChIKey is SUCHCJDKABRDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-9-12(13(4,5)6)15(11(2)3)10-14(15,7)8/h12H,2,9-10H2,1,3-8H3.
What are the key properties of 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane?
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane has a molecular weight of 208.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 123928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).