1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane

C12H18 — CID 123674015

IUPAC1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane
SMILESC=C=C=C(C(C)C)C1CC1CC
InChIInChI=1S/C12H18/c1-5-7-11(9(3)4)12-8-10(12)6-2/h9-10,12H,1,6,8H2,2-4H3
InChIKeyNFTSHWGQIFKBRD-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.55
Rot. Bonds3

About 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane

1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane (PubChem CID 123674015) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane
PubChem CID123674015
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane
SMILESC=C=C=C(C(C)C)C1CC1CC
InChIInChI=1S/C12H18/c1-5-7-11(9(3)4)12-8-10(12)6-2/h9-10,12H,1,6,8H2,2-4H3
InChIKeyNFTSHWGQIFKBRD-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.55
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-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane?
The IUPAC name of 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane (CID 123674015) is 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane?
The canonical SMILES for 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane is C=C=C=C(C(C)C)C1CC1CC.
What is the InChIKey of 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane?
The InChIKey is NFTSHWGQIFKBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-7-11(9(3)4)12-8-10(12)6-2/h9-10,12H,1,6,8H2,2-4H3.
What are the key properties of 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane?
1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane has a molecular weight of 162.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylhexa-3,4,5-trien-3-yl)cyclopropane is sourced from PubChem (CID 123674015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).