4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene

C11H16 — CID 123687137

IUPAC4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
SMILESCCC1=C(C)C=C(C)CC=C1
InChIInChI=1S/C11H16/c1-4-11-7-5-6-9(2)8-10(11)3/h5,7-8H,4,6H2,1-3H3
InChIKeyNXBJDXRBVGMPIS-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds1

About 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene

4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene (PubChem CID 123687137) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
PubChem CID123687137
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene
SMILESCCC1=C(C)C=C(C)CC=C1
InChIInChI=1S/C11H16/c1-4-11-7-5-6-9(2)8-10(11)3/h5,7-8H,4,6H2,1-3H3
InChIKeyNXBJDXRBVGMPIS-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 161173679
CID 161173679
butane;ethane;pentane;1,3,4-trimethylcyclohepta-1,3,5-triene
CID 176966621
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
CID 143169128
dipropyl 4-methylcyclohepta-1,3,6-triene-1,2-dicarboxylate
CID 66809425
3-ethyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]-6H-cyclohepta[b]pyrrole
CID 166823071
5,6-diethyl-2H-telluropyran
CID 173390211
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
3-ethyl-4-fluorocyclohepta-1,3,5-triene
CID 123732021

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene (CID 123687137) is 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene is CCC1=C(C)C=C(C)CC=C1.
What is the InChIKey of 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene?
The InChIKey is NXBJDXRBVGMPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-11-7-5-6-9(2)8-10(11)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene?
4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123687137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).