1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane

C14H28 — CID 123890529

IUPAC1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
SMILESCCCC(C)C(CC)CCC1CC1C
InChIInChI=1S/C14H28/c1-5-7-11(3)13(6-2)8-9-14-10-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyYBATXDZRSUQLRO-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds7

About 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane

1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane (PubChem CID 123890529) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
PubChem CID123890529
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
SMILESCCCC(C)C(CC)CCC1CC1C
InChIInChI=1S/C14H28/c1-5-7-11(3)13(6-2)8-9-14-10-12(14)4/h11-14H,5-10H2,1-4H3
InChIKeyYBATXDZRSUQLRO-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine
CID 123644538
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-(3-ethyl-4,5-dimethylheptyl)-2-propylcyclopropane
CID 123532559
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355
6-ethyl-2,5-dimethylnonane
CID 54499682
5-ethyl-2,2,6-trimethylnonane
CID 57492048
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane?
The IUPAC name of 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane (CID 123890529) is 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane?
The canonical SMILES for 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane is CCCC(C)C(CC)CCC1CC1C.
What is the InChIKey of 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane?
The InChIKey is YBATXDZRSUQLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-7-11(3)13(6-2)8-9-14-10-12(14)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane?
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane is sourced from PubChem (CID 123890529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).