4,5-dimethylhepta-5,6-dienylcyclopropane

C12H20 — CID 123718286

IUPAC4,5-dimethylhepta-5,6-dienylcyclopropane
SMILESC=C=C(C)C(C)CCCC1CC1
InChIInChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h11-12H,1,5-9H2,2-3H3
InChIKeyOFTILZOEKITVPB-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds5

About 4,5-dimethylhepta-5,6-dienylcyclopropane

4,5-dimethylhepta-5,6-dienylcyclopropane (PubChem CID 123718286) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4,5-dimethylhepta-5,6-dienylcyclopropane.

Molecular Properties

Compound Name4,5-dimethylhepta-5,6-dienylcyclopropane
PubChem CID123718286
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4,5-dimethylhepta-5,6-dienylcyclopropane
SMILESC=C=C(C)C(C)CCCC1CC1
InChIInChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h11-12H,1,5-9H2,2-3H3
InChIKeyOFTILZOEKITVPB-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.93
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 4,5-dimethylhepta-5,6-dienylcyclopropane?
The IUPAC name of 4,5-dimethylhepta-5,6-dienylcyclopropane (CID 123718286) is 4,5-dimethylhepta-5,6-dienylcyclopropane.
What is the SMILES notation for 4,5-dimethylhepta-5,6-dienylcyclopropane?
The canonical SMILES for 4,5-dimethylhepta-5,6-dienylcyclopropane is C=C=C(C)C(C)CCCC1CC1.
What is the InChIKey of 4,5-dimethylhepta-5,6-dienylcyclopropane?
The InChIKey is OFTILZOEKITVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-10(2)11(3)6-5-7-12-8-9-12/h11-12H,1,5-9H2,2-3H3.
What are the key properties of 4,5-dimethylhepta-5,6-dienylcyclopropane?
4,5-dimethylhepta-5,6-dienylcyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhepta-5,6-dienylcyclopropane is sourced from PubChem (CID 123718286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).