2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene

C16H20 — CID 162362812

IUPAC2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene
SMILESCCC1=C(C2=CCCC=C2C)CC=CC=C1
InChIInChI=1S/C16H20/c1-3-14-10-5-4-6-12-16(14)15-11-8-7-9-13(15)2/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyKYSSWGPBNKLSDK-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.88
Rot. Bonds2

About 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene

2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene (PubChem CID 162362812) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene
PubChem CID162362812
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene
SMILESCCC1=C(C2=CCCC=C2C)CC=CC=C1
InChIInChI=1S/C16H20/c1-3-14-10-5-4-6-12-16(14)15-11-8-7-9-13(15)2/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyKYSSWGPBNKLSDK-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethylcycloocta-1,3,5-trien-1-amine
CID 67050807
3-ethyl-2-methylcyclonona-2,4,6-trien-1-one
CID 123616852
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
CID 6914078
CID 6914078
CID 161173679
CID 161173679
1-(2-ethylcyclohepta-1,3,5-trien-1-yl)propan-2-imine
CID 123479326
calcium bis(2-propylcyclohepta-1,3,5-trien-1-olate)
CID 140751950
(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
CID 142255618
(5E)-5-butan-2-ylidenecyclohexa-1,3-diene
CID 10978663
4H-cyclohepta[b]thiophene-3-carbonitrile
CID 174626676
4-(6-methylcyclohexa-1,5-dien-1-yl)benzonitrile
CID 153394358

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene?
The IUPAC name of 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene (CID 162362812) is 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene?
The canonical SMILES for 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene is CCC1=C(C2=CCCC=C2C)CC=CC=C1.
What is the InChIKey of 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene?
The InChIKey is KYSSWGPBNKLSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-3-14-10-5-4-6-12-16(14)15-11-8-7-9-13(15)2/h4-6,9-11H,3,7-8,12H2,1-2H3.
What are the key properties of 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene?
2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene has a molecular weight of 212.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 162362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).