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

C10H18 — CID 90903688

IUPAC1,2-dimethylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=C(C)CCC=C1
InChIInChI=1S/C8H12.C2H6/c1-7-5-3-4-6-8(7)2;1-2/h3,5H,4,6H2,1-2H3;1-2H3
InChIKeyWHLLMBGOINXSQT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.70
Rot. Bonds

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

1,2-dimethylcyclohexa-1,3-diene;ethane (PubChem CID 90903688) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2-dimethylcyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1,2-dimethylcyclohexa-1,3-diene;ethane
PubChem CID90903688
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2-dimethylcyclohexa-1,3-diene;ethane
SMILESCC.CC1=C(C)CCC=C1
InChIInChI=1S/C8H12.C2H6/c1-7-5-3-4-6-8(7)2;1-2/h3,5H,4,6H2,1-2H3;1-2H3
InChIKeyWHLLMBGOINXSQT-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexa-1,3-diene;ethane?
The IUPAC name of 1,2-dimethylcyclohexa-1,3-diene;ethane (CID 90903688) is 1,2-dimethylcyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1,2-dimethylcyclohexa-1,3-diene;ethane?
The canonical SMILES for 1,2-dimethylcyclohexa-1,3-diene;ethane is CC.CC1=C(C)CCC=C1.
What is the InChIKey of 1,2-dimethylcyclohexa-1,3-diene;ethane?
The InChIKey is WHLLMBGOINXSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.C2H6/c1-7-5-3-4-6-8(7)2;1-2/h3,5H,4,6H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylcyclohexa-1,3-diene;ethane?
1,2-dimethylcyclohexa-1,3-diene;ethane has a molecular weight of 138.25 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexa-1,3-diene;ethane is sourced from PubChem (CID 90903688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).