2-methylcycloundeca-1,3,7-triene

C12H18 — CID 123392586

IUPAC2-methylcycloundeca-1,3,7-triene
SMILESCC1=CCCCC=CCCC=C1
InChIInChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeySYWKFDURQWGRRP-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About 2-methylcycloundeca-1,3,7-triene

2-methylcycloundeca-1,3,7-triene (PubChem CID 123392586) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-methylcycloundeca-1,3,7-triene.

Molecular Properties

Compound Name2-methylcycloundeca-1,3,7-triene
PubChem CID123392586
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-methylcycloundeca-1,3,7-triene
SMILESCC1=CCCCC=CCCC=C1
InChIInChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeySYWKFDURQWGRRP-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;2-methylcyclohexa-1,3-diene
CID 143188946
(1E,3Z,6E)-3-methylcyclonona-1,3,6-triene
CID 176704400
ethane;2-methylcyclohexa-1,3-diene;propane
CID 144716952
dibenzothiophene;ethane;2-methylcyclohepta-1,3-diene
CID 142509932
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
2,12-dimethylcycloicosa-1,3,5,8,10,13,15-heptaene
CID 162298979
3-methylcyclodeca-1,3,5,7-tetraene
CID 91613149
(2E,6E,10Z,14E)-cyclopentadeca-2,6,10,14-tetraen-1-one
CID 22818646
ethane;2-ethylphenol;2-methylcyclohexa-1,3-diene;1,3-xylene
CID 170647180
(5Z)-cyclodeca-1,5-diene
CID 97293620

Frequently Asked Questions

What is the IUPAC name of 2-methylcycloundeca-1,3,7-triene?
The IUPAC name of 2-methylcycloundeca-1,3,7-triene (CID 123392586) is 2-methylcycloundeca-1,3,7-triene.
What is the SMILES notation for 2-methylcycloundeca-1,3,7-triene?
The canonical SMILES for 2-methylcycloundeca-1,3,7-triene is CC1=CCCCC=CCCC=C1.
What is the InChIKey of 2-methylcycloundeca-1,3,7-triene?
The InChIKey is SYWKFDURQWGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-12-10-8-6-4-2-3-5-7-9-11-12/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 2-methylcycloundeca-1,3,7-triene?
2-methylcycloundeca-1,3,7-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcycloundeca-1,3,7-triene is sourced from PubChem (CID 123392586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).