3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene

C14H22 — CID 142904411

IUPAC3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
SMILESCCCC(C)C1=CC(CC)=CC=CC1
InChIInChI=1S/C14H22/c1-4-8-12(3)14-10-7-6-9-13(5-2)11-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyOUJGHKNJLKWPSK-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.65
Rot. Bonds4

About 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene

3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene (PubChem CID 142904411) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
PubChem CID142904411
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene
SMILESCCCC(C)C1=CC(CC)=CC=CC1
InChIInChI=1S/C14H22/c1-4-8-12(3)14-10-7-6-9-13(5-2)11-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3
InChIKeyOUJGHKNJLKWPSK-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-cyclopenta-1,3-dien-1-ylbutyl)cyclopenta-1,3-diene;zirconium
CID 173316758
1-(5-methylheptan-2-yl)cyclopenta-1,3-diene
CID 163645730
1-pentan-2-ylcyclobutene
CID 123526137
1-methyl-4-pentan-2-ylcyclohexa-1,3-diene
CID 144780795
1-cyclopenta-1,3-dien-1-yltridecan-1-ol
CID 23569005
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
2-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
CID 45088275
1-pentan-2-ylcyclopentene
CID 21242449
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
2-(1-cyclopenta-1,3-dien-1-ylbutyl)-1,3,5-trimethylbenzene
CID 139712973
barium(2+);hydride;bis(1-propan-2-ylcyclopenta-1,3-diene)
CID 173388440
1-ethylcyclopenta-1,3-diene
CID 528166

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene?
The IUPAC name of 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene (CID 142904411) is 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene is CCCC(C)C1=CC(CC)=CC=CC1.
What is the InChIKey of 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene?
The InChIKey is OUJGHKNJLKWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-8-12(3)14-10-7-6-9-13(5-2)11-14/h6-7,9,11-12H,4-5,8,10H2,1-3H3.
What are the key properties of 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene?
3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene has a molecular weight of 190.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pentan-2-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142904411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).