6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

C12H20O2 — CID 10035588

IUPAC6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(OC)(OC)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-7-6-10(3)12(8-11,13-4)14-5/h6,11H,1,7-8H2,2-5H3
InChIKeyMTNVKVKYNXHTPN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds3

About 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene

6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 10035588) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID10035588
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(C)C(OC)(OC)C1
InChIInChI=1S/C12H20O2/c1-9(2)11-7-6-10(3)12(8-11,13-4)14-5/h6,11H,1,7-8H2,2-5H3
InChIKeyMTNVKVKYNXHTPN-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 10035588) is 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(C)C(OC)(OC)C1.
What is the InChIKey of 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is MTNVKVKYNXHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11-7-6-10(3)12(8-11,13-4)14-5/h6,11H,1,7-8H2,2-5H3.
What are the key properties of 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene?
6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 196.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 10035588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).