1,2-dimethoxy-3-methylidenecyclohexane

C9H16O2 — CID 90685152

IUPAC1,2-dimethoxy-3-methylidenecyclohexane
SMILESC=C1CCCC(OC)C1OC
InChIInChI=1S/C9H16O2/c1-7-5-4-6-8(10-2)9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyNBOPQNDKKSQPDK-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.76
Rot. Bonds2

About 1,2-dimethoxy-3-methylidenecyclohexane

1,2-dimethoxy-3-methylidenecyclohexane (PubChem CID 90685152) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,2-dimethoxy-3-methylidenecyclohexane.

Molecular Properties

Compound Name1,2-dimethoxy-3-methylidenecyclohexane
PubChem CID90685152
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1,2-dimethoxy-3-methylidenecyclohexane
SMILESC=C1CCCC(OC)C1OC
InChIInChI=1S/C9H16O2/c1-7-5-4-6-8(10-2)9(7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyNBOPQNDKKSQPDK-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-methylidenecyclohexane?
The IUPAC name of 1,2-dimethoxy-3-methylidenecyclohexane (CID 90685152) is 1,2-dimethoxy-3-methylidenecyclohexane.
What is the SMILES notation for 1,2-dimethoxy-3-methylidenecyclohexane?
The canonical SMILES for 1,2-dimethoxy-3-methylidenecyclohexane is C=C1CCCC(OC)C1OC.
What is the InChIKey of 1,2-dimethoxy-3-methylidenecyclohexane?
The InChIKey is NBOPQNDKKSQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-4-6-8(10-2)9(7)11-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1,2-dimethoxy-3-methylidenecyclohexane?
1,2-dimethoxy-3-methylidenecyclohexane has a molecular weight of 156.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-methylidenecyclohexane is sourced from PubChem (CID 90685152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).