1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane

C14H28 — CID 123956694

IUPAC1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
SMILESCCCC1(C(C)C(CC)C(C)C)CC1
InChIInChI=1S/C14H28/c1-6-8-14(9-10-14)12(5)13(7-2)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyRSGUDILEROCFCM-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds6

About 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane

1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane (PubChem CID 123956694) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane.

Molecular Properties

Compound Name1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
PubChem CID123956694
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane
SMILESCCCC1(C(C)C(CC)C(C)C)CC1
InChIInChI=1S/C14H28/c1-6-8-14(9-10-14)12(5)13(7-2)11(3)4/h11-13H,6-10H2,1-5H3
InChIKeyRSGUDILEROCFCM-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-pentan-2-yl-1-propylcyclopropane
CID 123606932
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-propan-2-yl-3-propylazetidine
CID 79452048
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
ethane;3-(1-fluoropropyl)-3-propylazetidine
CID 166077655
1-propyl-1-undecan-4-ylcyclopropane
CID 123635961
4-butan-2-yl-4-propylcycloheptene
CID 91107019
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
3-(1-bromoethyl)-3-propyloxetane
CID 66885643

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane?
The IUPAC name of 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane (CID 123956694) is 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane.
What is the SMILES notation for 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane?
The canonical SMILES for 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane is CCCC1(C(C)C(CC)C(C)C)CC1.
What is the InChIKey of 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane?
The InChIKey is RSGUDILEROCFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-8-14(9-10-14)12(5)13(7-2)11(3)4/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane?
1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylpentan-2-yl)-1-propylcyclopropane is sourced from PubChem (CID 123956694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).