5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene

C12H18O2 — CID 166756510

IUPAC5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene
SMILESC=CC1(C(OC)OC)C=CC(C)=CC1
InChIInChI=1S/C12H18O2/c1-5-12(11(13-3)14-4)8-6-10(2)7-9-12/h5-8,11H,1,9H2,2-4H3
InChIKeyCUXIKHNSYUJLAV-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds4

About 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene

5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene (PubChem CID 166756510) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene
PubChem CID166756510
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene
SMILESC=CC1(C(OC)OC)C=CC(C)=CC1
InChIInChI=1S/C12H18O2/c1-5-12(11(13-3)14-4)8-6-10(2)7-9-12/h5-8,11H,1,9H2,2-4H3
InChIKeyCUXIKHNSYUJLAV-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5,5-bis(methylsulfanyl)cyclohexa-1,3-diene
CID 18710896
4-methyl-1-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 141009789
(1,4-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141041567
3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)prop-2-en-1-amine
CID 70410702
3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxy-3-methylbutan-2-one
CID 70947564
8-methylspiro[4.5]deca-7,9-diene
CID 123168387
4-(1,4-dimethylcyclohexa-2,4-dien-1-yl)but-3-en-1-amine
CID 151511370
1,4-dimethyl-N,N-bis(prop-2-enyl)cyclohexa-2,4-diene-1-sulfonamide
CID 139681155
2,5-dimethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 134426503
bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
(3S,4R,6R)-4-bromo-5,5,9-trimethyl-1-methylidenespiro[5.5]undeca-8,10-dien-3-ol
CID 15599842
(1,4-dimethylcyclohexa-2,4-dien-1-yl)phosphane;1-methyl-4-[(2E)-5-methylhexa-2,5-dien-2-yl]benzene
CID 142975654

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene?
The IUPAC name of 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene (CID 166756510) is 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene is C=CC1(C(OC)OC)C=CC(C)=CC1.
What is the InChIKey of 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene?
The InChIKey is CUXIKHNSYUJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-12(11(13-3)14-4)8-6-10(2)7-9-12/h5-8,11H,1,9H2,2-4H3.
What are the key properties of 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene?
5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene has a molecular weight of 194.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-5-ethenyl-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 166756510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).