1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane

C13H22 — CID 123417502

IUPAC1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane
SMILESC=C=C(C)CC(CC)CC1CC1C
InChIInChI=1S/C13H22/c1-5-10(3)7-12(6-2)9-13-8-11(13)4/h11-13H,1,6-9H2,2-4H3
InChIKeyBGKDKILNCWCWGZ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.18
Rot. Bonds5

About 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane

1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane (PubChem CID 123417502) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane
PubChem CID123417502
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane
SMILESC=C=C(C)CC(CC)CC1CC1C
InChIInChI=1S/C13H22/c1-5-10(3)7-12(6-2)9-13-8-11(13)4/h11-13H,1,6-9H2,2-4H3
InChIKeyBGKDKILNCWCWGZ-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
2,6-Dimethyl-1-octene
CID 522308
2,4,6-Trimethyl-1-nonene
CID 536118
2,4,6,8-Tetramethyl-1-undecene
CID 536235
Nonane, 2-methyl-3-methylene-
CID 549980
1-Heptene, 2-isohexyl-6-methyl-
CID 580972
2,4,6-Trimethyl-1-heptene
CID 55269539
2,4-Dimethyldec-1-ene
CID 521583
2-Methyl-3-methylideneoctane
CID 15084419
1,2-Hexadecadiene, 3,7,11,15-tetramethyl-
CID 94234
2,8-Dimethyl-4-methylenenonane
CID 544668
2,4,6,8-Tetramethylnon-1-ene
CID 58668850

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane?
The IUPAC name of 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane (CID 123417502) is 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane?
The canonical SMILES for 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane is C=C=C(C)CC(CC)CC1CC1C.
What is the InChIKey of 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane?
The InChIKey is BGKDKILNCWCWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-10(3)7-12(6-2)9-13-8-11(13)4/h11-13H,1,6-9H2,2-4H3.
What are the key properties of 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane?
1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane has a molecular weight of 178.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylhexa-4,5-dienyl)-2-methylcyclopropane is sourced from PubChem (CID 123417502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).