1,5-dimethylcyclohexa-1,2-diene;ethane

C10H18 — CID 142867199

IUPAC1,5-dimethylcyclohexa-1,2-diene;ethane
SMILESCC.CC1=C=CCC(C)C1
InChIInChI=1S/C8H12.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3,7H,4,6H2,1-2H3;1-2H3
InChIKeyKCNGECDCXSPMQQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.54
Rot. Bonds

About 1,5-dimethylcyclohexa-1,2-diene;ethane

1,5-dimethylcyclohexa-1,2-diene;ethane (PubChem CID 142867199) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,5-dimethylcyclohexa-1,2-diene;ethane.

Molecular Properties

Compound Name1,5-dimethylcyclohexa-1,2-diene;ethane
PubChem CID142867199
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,5-dimethylcyclohexa-1,2-diene;ethane
SMILESCC.CC1=C=CCC(C)C1
InChIInChI=1S/C8H12.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3,7H,4,6H2,1-2H3;1-2H3
InChIKeyKCNGECDCXSPMQQ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,6-dimethylcyclohexa-2,3-dien-1-one
CID 89088486
(5S)-2,5-dimethylcyclohex-2-en-1-one;ethane
CID 142025260
3-methylbicyclo[5.2.1]deca-1(10),3,4-triene
CID 163608088
ethane;4-methylcyclopentene-1-carbonitrile
CID 156838774
5-methylcyclohepta-1,2-diene
CID 123486192
1-tert-butyl-4-methylcyclopentene
CID 13234608
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
4-methyl-1-(3-methylcyclopentyl)oxycyclopentene
CID 170414539
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
(4R,5R)-1,4,5-trimethylcyclohexene
CID 13226239
4,5-dibromo-1-methylcyclohexene
CID 10422412

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclohexa-1,2-diene;ethane?
The IUPAC name of 1,5-dimethylcyclohexa-1,2-diene;ethane (CID 142867199) is 1,5-dimethylcyclohexa-1,2-diene;ethane.
What is the SMILES notation for 1,5-dimethylcyclohexa-1,2-diene;ethane?
The canonical SMILES for 1,5-dimethylcyclohexa-1,2-diene;ethane is CC.CC1=C=CCC(C)C1.
What is the InChIKey of 1,5-dimethylcyclohexa-1,2-diene;ethane?
The InChIKey is KCNGECDCXSPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3,7H,4,6H2,1-2H3;1-2H3.
What are the key properties of 1,5-dimethylcyclohexa-1,2-diene;ethane?
1,5-dimethylcyclohexa-1,2-diene;ethane has a molecular weight of 138.25 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclohexa-1,2-diene;ethane is sourced from PubChem (CID 142867199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).