ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene

C12H20 — CID 143703255

IUPACethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
SMILESC=CC1=CCCC(C)=C1C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-10-7-5-6-8(2)9(10)3;1-2/h4,7H,1,5-6H2,2-3H3;1-2H3
InChIKeyVUUOPBWREUPACB-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds1

About ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene

ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene (PubChem CID 143703255) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
PubChem CID143703255
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
SMILESC=CC1=CCCC(C)=C1C.CC
InChIInChI=1S/C10H14.C2H6/c1-4-10-7-5-6-8(2)9(10)3;1-2/h4,7H,1,5-6H2,2-3H3;1-2H3
InChIKeyVUUOPBWREUPACB-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-dimethylcyclohexa-1,5-dien-1-amine
CID 143080216
ethane;1-methylcyclobutene
CID 91484029
ethane;5-ethenyl-7,8-dihydroquinoline
CID 177360263
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
CID 163245069
2-ethenyl-1-methyl-4-prop-1-en-2-ylcyclohepta-1,4-diene
CID 10844978
1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
CID 145256525
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
6-ethenyl-2-methyl-3,4-dihydropyridine
CID 123371098
1-(3,5-dimethylphenyl)-N-methylethanimine;ethane;bis(2-methylprop-1-ene);1,2,3-trimethylcyclohexa-1,3-diene
CID 166131754
N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
CID 152858957
6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene
CID 163431710
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene?
The IUPAC name of ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene (CID 143703255) is ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene?
The canonical SMILES for ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene is C=CC1=CCCC(C)=C1C.CC.
What is the InChIKey of ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene?
The InChIKey is VUUOPBWREUPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-4-10-7-5-6-8(2)9(10)3;1-2/h4,7H,1,5-6H2,2-3H3;1-2H3.
What are the key properties of ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene?
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 143703255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).