1,7-diethyl-3-methylcyclohepta-1,3-diene

C12H20 — CID 123642544

IUPAC1,7-diethyl-3-methylcyclohepta-1,3-diene
SMILESCCC1=CC(C)=CCCC1CC
InChIInChI=1S/C12H20/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7,9,11H,4-6,8H2,1-3H3
InChIKeyCMOWFBMPJQFCPY-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds2

About 1,7-diethyl-3-methylcyclohepta-1,3-diene

1,7-diethyl-3-methylcyclohepta-1,3-diene (PubChem CID 123642544) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,7-diethyl-3-methylcyclohepta-1,3-diene.

Molecular Properties

Compound Name1,7-diethyl-3-methylcyclohepta-1,3-diene
PubChem CID123642544
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,7-diethyl-3-methylcyclohepta-1,3-diene
SMILESCCC1=CC(C)=CCCC1CC
InChIInChI=1S/C12H20/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7,9,11H,4-6,8H2,1-3H3
InChIKeyCMOWFBMPJQFCPY-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-diethylcyclohexa-1,5-diene-1-carbonitrile
CID 142307277
1,5-diethyl-3-methylcyclopenta-1,3-diene
CID 87973123
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
1-fluoro-3,7-dimethylcyclohepta-1,3-diene
CID 145318175
2-ethyl-N-methylcyclopent-2-en-1-amine
CID 123512863
1-ethyl-3,5-dimethylcyclopenta-1,3-diene
CID 91803964
1,5-dipropylcyclopentene
CID 151956765
1,3,5-triethylcyclopentene
CID 157204030
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
2-methyl-6-propylcyclohex-2-en-1-one
CID 21186823
lithium 6-ethylcyclohexen-1-olate
CID 134976010
2-(2-ethylcyclobut-2-en-1-yl)ethanamine
CID 123785656

Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-3-methylcyclohepta-1,3-diene?
The IUPAC name of 1,7-diethyl-3-methylcyclohepta-1,3-diene (CID 123642544) is 1,7-diethyl-3-methylcyclohepta-1,3-diene.
What is the SMILES notation for 1,7-diethyl-3-methylcyclohepta-1,3-diene?
The canonical SMILES for 1,7-diethyl-3-methylcyclohepta-1,3-diene is CCC1=CC(C)=CCCC1CC.
What is the InChIKey of 1,7-diethyl-3-methylcyclohepta-1,3-diene?
The InChIKey is CMOWFBMPJQFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-11-8-6-7-10(3)9-12(11)5-2/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 1,7-diethyl-3-methylcyclohepta-1,3-diene?
1,7-diethyl-3-methylcyclohepta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-3-methylcyclohepta-1,3-diene is sourced from PubChem (CID 123642544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).