1,4-dimethylcyclodecene

C12H22 — CID 173437289

IUPAC1,4-dimethylcyclodecene
SMILESCC1=CCC(C)CCCCCC1
InChIInChI=1S/C12H22/c1-11-7-5-3-4-6-8-12(2)10-9-11/h9,12H,3-8,10H2,1-2H3
InChIKeyUTGJELNYDNFSGD-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds

About 1,4-dimethylcyclodecene

1,4-dimethylcyclodecene (PubChem CID 173437289) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,4-dimethylcyclodecene.

Molecular Properties

Compound Name1,4-dimethylcyclodecene
PubChem CID173437289
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,4-dimethylcyclodecene
SMILESCC1=CCC(C)CCCCCC1
InChIInChI=1S/C12H22/c1-11-7-5-3-4-6-8-12(2)10-9-11/h9,12H,3-8,10H2,1-2H3
InChIKeyUTGJELNYDNFSGD-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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

1,4-dimethyl(113C)cyclohexene
CID 11018826
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
(5Z)-3,6-dimethyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 143290080
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;3,6-dimethylcyclohexene;methane
CID 142414461
1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclooctene
CID 68741216
1,4-dimethylcyclohexene;2,5-dimethyloxane
CID 143612345
bis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);bis(2-fluoro-1,4-dimethylcyclohexane);molecular hydrogen;trihydrate
CID 160605414
(1R)-N,4-dimethylcyclohex-3-en-1-amine
CID 15748124
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylcyclohexene
CID 142844577
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
1,4-dimethylcyclohexene;2-fluoro-1,4-dimethylbenzene
CID 143612352

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclodecene?
The IUPAC name of 1,4-dimethylcyclodecene (CID 173437289) is 1,4-dimethylcyclodecene.
What is the SMILES notation for 1,4-dimethylcyclodecene?
The canonical SMILES for 1,4-dimethylcyclodecene is CC1=CCC(C)CCCCCC1.
What is the InChIKey of 1,4-dimethylcyclodecene?
The InChIKey is UTGJELNYDNFSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-11-7-5-3-4-6-8-12(2)10-9-11/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 1,4-dimethylcyclodecene?
1,4-dimethylcyclodecene has a molecular weight of 166.31 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclodecene is sourced from PubChem (CID 173437289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).