methane;2-methylcyclohexa-1,3-diene

C9H18 — CID 143188946

IUPACmethane;2-methylcyclohexa-1,3-diene
SMILESC.C.CC1=CCCC=C1
InChIInChI=1S/C7H10.2CH4/c1-7-5-3-2-4-6-7;;/h3,5-6H,2,4H2,1H3;2*1H4
InChIKeyRNSUQTMBHIXOEQ-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.55
Rot. Bonds

About methane;2-methylcyclohexa-1,3-diene

methane;2-methylcyclohexa-1,3-diene (PubChem CID 143188946) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is methane;2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Namemethane;2-methylcyclohexa-1,3-diene
PubChem CID143188946
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namemethane;2-methylcyclohexa-1,3-diene
SMILESC.C.CC1=CCCC=C1
InChIInChI=1S/C7H10.2CH4/c1-7-5-3-2-4-6-7;;/h3,5-6H,2,4H2,1H3;2*1H4
InChIKeyRNSUQTMBHIXOEQ-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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methanol;2-methylcyclohexa-1,3-diene;propane
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CID 159185044
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
ethane;2-ethylphenol;2-methylcyclohexa-1,3-diene;1,3-xylene
CID 170647180
dibenzothiophene;ethane;2-methylcyclohepta-1,3-diene
CID 142509932
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
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Frequently Asked Questions

What is the IUPAC name of methane;2-methylcyclohexa-1,3-diene?
The IUPAC name of methane;2-methylcyclohexa-1,3-diene (CID 143188946) is methane;2-methylcyclohexa-1,3-diene.
What is the SMILES notation for methane;2-methylcyclohexa-1,3-diene?
The canonical SMILES for methane;2-methylcyclohexa-1,3-diene is C.C.CC1=CCCC=C1.
What is the InChIKey of methane;2-methylcyclohexa-1,3-diene?
The InChIKey is RNSUQTMBHIXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.2CH4/c1-7-5-3-2-4-6-7;;/h3,5-6H,2,4H2,1H3;2*1H4.
What are the key properties of methane;2-methylcyclohexa-1,3-diene?
methane;2-methylcyclohexa-1,3-diene has a molecular weight of 126.24 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143188946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).