4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane

C16H28 — CID 123513312

IUPAC4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane
SMILESC=C(C1CC(C)C(C)C1)C(C)C1CC1(C)C
InChIInChI=1S/C16H28/c1-10-7-14(8-11(10)2)12(3)13(4)15-9-16(15,5)6/h10-11,13-15H,3,7-9H2,1-2,4-6H3
InChIKeyUPMHLOQIXNWUGB-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.91
Rot. Bonds3

About 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane

4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane (PubChem CID 123513312) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane.

Molecular Properties

Compound Name4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane
PubChem CID123513312
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane
SMILESC=C(C1CC(C)C(C)C1)C(C)C1CC1(C)C
InChIInChI=1S/C16H28/c1-10-7-14(8-11(10)2)12(3)13(4)15-9-16(15,5)6/h10-11,13-15H,3,7-9H2,1-2,4-6H3
InChIKeyUPMHLOQIXNWUGB-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.91
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

[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
1-[(1S)-1,2,4,5-tetramethylcyclohexyl]ethanol
CID 138606662
N-[1-(2,2-dimethylcyclopropyl)ethyl]-3-methylcyclopentan-1-amine
CID 130736733
1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
CID 107005366
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylcyclobutane
CID 91035577
(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol
CID 23261143
1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane
CID 123177166
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
(2S)-1,1,2-trimethylcyclopropane
CID 25022262

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane?
The IUPAC name of 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane (CID 123513312) is 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane.
What is the SMILES notation for 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane?
The canonical SMILES for 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane is C=C(C1CC(C)C(C)C1)C(C)C1CC1(C)C.
What is the InChIKey of 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane?
The InChIKey is UPMHLOQIXNWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-10-7-14(8-11(10)2)12(3)13(4)15-9-16(15,5)6/h10-11,13-15H,3,7-9H2,1-2,4-6H3.
What are the key properties of 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane?
4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane has a molecular weight of 220.40 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane is sourced from PubChem (CID 123513312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).