1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane

C17H30 — CID 123344294

IUPAC1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane
SMILESC=C(C=CC)C1(CC)C(CC)C1(CC)C(C)C
InChIInChI=1S/C17H30/c1-8-12-14(7)17(11-4)15(9-2)16(17,10-3)13(5)6/h8,12-13,15H,7,9-11H2,1-6H3
InChIKeyNVUBWIJMFOKKIH-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.61
Rot. Bonds6

About 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane

1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane (PubChem CID 123344294) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane
PubChem CID123344294
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane
SMILESC=C(C=CC)C1(CC)C(CC)C1(CC)C(C)C
InChIInChI=1S/C17H30/c1-8-12-14(7)17(11-4)15(9-2)16(17,10-3)13(5)6/h8,12-13,15H,7,9-11H2,1-6H3
InChIKeyNVUBWIJMFOKKIH-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(Z)-5-methyl-4-methylidenehept-2-ene
CID 142042502
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
N-ethyl-3-methylidenehex-4-en-2-amine
CID 123937669
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
2-ethyl-1,1,3-trimethyl-3-propan-2-ylcyclohexane
CID 144667532
4-methylidene-5-propyloct-2-ene
CID 90714762
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
(5Z)-4-methylidenehepta-1,5-diene
CID 143920725
4-methylidenehepta-1,5-diene
CID 76553064
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane?
The IUPAC name of 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane (CID 123344294) is 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane?
The canonical SMILES for 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane is C=C(C=CC)C1(CC)C(CC)C1(CC)C(C)C.
What is the InChIKey of 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane?
The InChIKey is NVUBWIJMFOKKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-8-12-14(7)17(11-4)15(9-2)16(17,10-3)13(5)6/h8,12-13,15H,7,9-11H2,1-6H3.
What are the key properties of 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane?
1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane has a molecular weight of 234.43 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane is sourced from PubChem (CID 123344294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).