3,5-dimethylocta-2,4-dien-4-ylcyclopropane

C13H22 — CID 123400158

IUPAC3,5-dimethylocta-2,4-dien-4-ylcyclopropane
SMILESCC=C(C)C(=C(C)CCC)C1CC1
InChIInChI=1S/C13H22/c1-5-7-11(4)13(10(3)6-2)12-8-9-12/h6,12H,5,7-9H2,1-4H3
InChIKeyKFCFZAUVGAQXHK-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds4

About 3,5-dimethylocta-2,4-dien-4-ylcyclopropane

3,5-dimethylocta-2,4-dien-4-ylcyclopropane (PubChem CID 123400158) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3,5-dimethylocta-2,4-dien-4-ylcyclopropane.

Molecular Properties

Compound Name3,5-dimethylocta-2,4-dien-4-ylcyclopropane
PubChem CID123400158
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3,5-dimethylocta-2,4-dien-4-ylcyclopropane
SMILESCC=C(C)C(=C(C)CCC)C1CC1
InChIInChI=1S/C13H22/c1-5-7-11(4)13(10(3)6-2)12-8-9-12/h6,12H,5,7-9H2,1-4H3
InChIKeyKFCFZAUVGAQXHK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethylocta-2,4-diene
CID 54130832
(E)-4,5-dimethyloct-4-ene
CID 12714364
6,7-dimethyldeca-2,6-diene
CID 91199113
2-(cyclopropanecarbonyl)-3-methylhex-2-enenitrile
CID 123291315
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
[(E)-hex-2-en-2-yl]cyclopropane
CID 23063598
2,3-dimethylhex-2-ene;ethane
CID 144601748
5,6,7-trimethyldeca-2,6-diene
CID 123505419
6-ethyl-7-methyl-3-methylidenedeca-1,6-diene
CID 54189290
1-pent-3-enyl-4-propylcyclohexane
CID 72599468

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylocta-2,4-dien-4-ylcyclopropane?
The IUPAC name of 3,5-dimethylocta-2,4-dien-4-ylcyclopropane (CID 123400158) is 3,5-dimethylocta-2,4-dien-4-ylcyclopropane.
What is the SMILES notation for 3,5-dimethylocta-2,4-dien-4-ylcyclopropane?
The canonical SMILES for 3,5-dimethylocta-2,4-dien-4-ylcyclopropane is CC=C(C)C(=C(C)CCC)C1CC1.
What is the InChIKey of 3,5-dimethylocta-2,4-dien-4-ylcyclopropane?
The InChIKey is KFCFZAUVGAQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-5-7-11(4)13(10(3)6-2)12-8-9-12/h6,12H,5,7-9H2,1-4H3.
What are the key properties of 3,5-dimethylocta-2,4-dien-4-ylcyclopropane?
3,5-dimethylocta-2,4-dien-4-ylcyclopropane has a molecular weight of 178.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylocta-2,4-dien-4-ylcyclopropane is sourced from PubChem (CID 123400158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).