1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane

C13H22 — CID 156650875

IUPAC1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
SMILESC=C(C)C1=CCC(C)C(C)=C1.CC
InChIInChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h6-7,9H,1,5H2,2-4H3;1-2H3
InChIKeyHMYFVNWMDIBMMJ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds1

About 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane

1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane (PubChem CID 156650875) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
PubChem CID156650875
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
SMILESC=C(C)C1=CCC(C)C(C)=C1.CC
InChIInChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h6-7,9H,1,5H2,2-4H3;1-2H3
InChIKeyHMYFVNWMDIBMMJ-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6S)-1,6-dimethyl-3-nitrosocyclohexa-1,3-diene
CID 163581000
6-methylcyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 139471592
1-[5-[[ethyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexa-1,5-dien-1-yl]ethanone
CID 142069628
2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene
CID 147683600
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
(1Z,3Z)-1,5,8-trimethylcycloocta-1,3,5-triene
CID 145266562
5-bromo-4-methylcyclohexa-1,5-diene-1-carbonyl chloride
CID 123339926
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
ethane;3-methylazetidine;1-methyl-4-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 153392432
[(6R)-3-carbamoyl-6-methylcyclohexa-1,3-dien-1-yl]boronic acid
CID 89383473
(4S)-4-methylcyclobuten-1-amine
CID 164996658
(4aR,5S)-8-methyl-5-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 125113933

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane (CID 156650875) is 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane is C=C(C)C1=CCC(C)C(C)=C1.CC.
What is the InChIKey of 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane?
The InChIKey is HMYFVNWMDIBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C2H6/c1-8(2)11-6-5-9(3)10(4)7-11;1-2/h6-7,9H,1,5H2,2-4H3;1-2H3.
What are the key properties of 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane?
1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane has a molecular weight of 178.32 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 156650875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).