1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane

C20H40 — CID 123906040

IUPAC1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane
SMILESCCCCC(CC)C1(CC)CC1C(C)C(C)(C)C(C)C
InChIInChI=1S/C20H40/c1-9-12-13-17(10-2)20(11-3)14-18(20)16(6)19(7,8)15(4)5/h15-18H,9-14H2,1-8H3
InChIKeyIPJNURZLNRWXOX-UHFFFAOYSA-N
MW280.54 g/mol
LogP6.94
Rot. Bonds9

About 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane

1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane (PubChem CID 123906040) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane
PubChem CID123906040
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane
SMILESCCCCC(CC)C1(CC)CC1C(C)C(C)(C)C(C)C
InChIInChI=1S/C20H40/c1-9-12-13-17(10-2)20(11-3)14-18(20)16(6)19(7,8)15(4)5/h15-18H,9-14H2,1-8H3
InChIKeyIPJNURZLNRWXOX-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
CID 123760958
2-ethyl-1-(8-ethyl-7-methyldecan-5-yl)-1-methylcyclopropane
CID 123968099
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
1-[1-(2-hexan-2-yl-2-methylcyclopropyl)propyl]-4-propan-2-ylcyclohexane
CID 91135731
5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
CID 123932635
2,3,3,4-tetramethylnonadecane
CID 174953704
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
1-heptan-3-yl-2-methylcyclopropan-1-ol;hexanedioic acid
CID 70579459
5,9-diethyl-7-(1-phosphanylethyl)tridecan-7-ol
CID 140650153
[(2S)-2-[(3S)-heptan-3-yl]oxiran-2-yl]methanol
CID 56631073
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
dibutyl-ethyl-methylphosphanium
CID 58444360

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane?
The IUPAC name of 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane (CID 123906040) is 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane?
The canonical SMILES for 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane is CCCCC(CC)C1(CC)CC1C(C)C(C)(C)C(C)C.
What is the InChIKey of 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane?
The InChIKey is IPJNURZLNRWXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-9-12-13-17(10-2)20(11-3)14-18(20)16(6)19(7,8)15(4)5/h15-18H,9-14H2,1-8H3.
What are the key properties of 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane?
1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane has a molecular weight of 280.54 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane is sourced from PubChem (CID 123906040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).