5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene

C11H18O2 — CID 146636355

IUPAC5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene
SMILESCOCC1(COC)C=CC(C)=CC1
InChIInChI=1S/C11H18O2/c1-10-4-6-11(7-5-10,8-12-2)9-13-3/h4-6H,7-9H2,1-3H3
InChIKeyDRTMBJWVDSHWCY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.17
Rot. Bonds4

About 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene

5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene (PubChem CID 146636355) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene
PubChem CID146636355
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene
SMILESCOCC1(COC)C=CC(C)=CC1
InChIInChI=1S/C11H18O2/c1-10-4-6-11(7-5-10,8-12-2)9-13-3/h4-6H,7-9H2,1-3H3
InChIKeyDRTMBJWVDSHWCY-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene?
The IUPAC name of 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene (CID 146636355) is 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene?
The canonical SMILES for 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene is COCC1(COC)C=CC(C)=CC1.
What is the InChIKey of 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene?
The InChIKey is DRTMBJWVDSHWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10-4-6-11(7-5-10,8-12-2)9-13-3/h4-6H,7-9H2,1-3H3.
What are the key properties of 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene?
5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene has a molecular weight of 182.26 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-2-methylcyclohexa-1,3-diene is sourced from PubChem (CID 146636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).