1,1-dimethoxy-4-methylidenecyclohexane

C9H16O2 — CID 143107392

IUPAC1,1-dimethoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)(OC)CC1
InChIInChI=1S/C9H16O2/c1-8-4-6-9(10-2,11-3)7-5-8/h1,4-7H2,2-3H3
InChIKeyQUTFLDKIWXBMNP-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds2

About 1,1-dimethoxy-4-methylidenecyclohexane

1,1-dimethoxy-4-methylidenecyclohexane (PubChem CID 143107392) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,1-dimethoxy-4-methylidenecyclohexane.

Molecular Properties

Compound Name1,1-dimethoxy-4-methylidenecyclohexane
PubChem CID143107392
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,1-dimethoxy-4-methylidenecyclohexane
SMILESC=C1CCC(OC)(OC)CC1
InChIInChI=1S/C9H16O2/c1-8-4-6-9(10-2,11-3)7-5-8/h1,4-7H2,2-3H3
InChIKeyQUTFLDKIWXBMNP-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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 1,1-dimethoxy-4-methylidenecyclohexane?
The IUPAC name of 1,1-dimethoxy-4-methylidenecyclohexane (CID 143107392) is 1,1-dimethoxy-4-methylidenecyclohexane.
What is the SMILES notation for 1,1-dimethoxy-4-methylidenecyclohexane?
The canonical SMILES for 1,1-dimethoxy-4-methylidenecyclohexane is C=C1CCC(OC)(OC)CC1.
What is the InChIKey of 1,1-dimethoxy-4-methylidenecyclohexane?
The InChIKey is QUTFLDKIWXBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-4-6-9(10-2,11-3)7-5-8/h1,4-7H2,2-3H3.
What are the key properties of 1,1-dimethoxy-4-methylidenecyclohexane?
1,1-dimethoxy-4-methylidenecyclohexane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-4-methylidenecyclohexane is sourced from PubChem (CID 143107392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).