1,3-dimethoxy-5-methylidenecyclohexane

C9H16O2 — CID 15710807

IUPAC1,3-dimethoxy-5-methylidenecyclohexane
SMILESC=C1CC(OC)CC(OC)C1
InChIInChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyNJKSZJZBLIFGPK-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.76
Rot. Bonds2

About 1,3-dimethoxy-5-methylidenecyclohexane

1,3-dimethoxy-5-methylidenecyclohexane (PubChem CID 15710807) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methylidenecyclohexane.

Molecular Properties

Compound Name1,3-dimethoxy-5-methylidenecyclohexane
PubChem CID15710807
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name1,3-dimethoxy-5-methylidenecyclohexane
SMILESC=C1CC(OC)CC(OC)C1
InChIInChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h8-9H,1,4-6H2,2-3H3
InChIKeyNJKSZJZBLIFGPK-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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Related Compounds

1,5-Dimethoxy-2,3-dimethylidenecyclohexane
CID 20632849
1-Ethylidene-3,5-dimethoxycyclohexane
CID 21344808
1,3-Dimethoxy-2-methylidenecyclohexane
CID 90969283
1-(3-Methoxypropoxy)-3-methylidenecyclohexane
CID 91235286
1,3-Diethoxy-2-methylidenecyclohexane
CID 91306145
2,4-Dimethoxy-1-methylidenecyclohexane
CID 91329046
1,2,3-Trimethoxy-5-methylidenecyclohexane
CID 91345450
1-Ethoxy-3-methoxy-2-methylidenecyclohexane
CID 91554838
1-Methoxy-3-(2-methoxypropan-2-yloxy)-5-methylidenecyclohexane
CID 145030212

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-methylidenecyclohexane?
The IUPAC name of 1,3-dimethoxy-5-methylidenecyclohexane (CID 15710807) is 1,3-dimethoxy-5-methylidenecyclohexane.
What is the SMILES notation for 1,3-dimethoxy-5-methylidenecyclohexane?
The canonical SMILES for 1,3-dimethoxy-5-methylidenecyclohexane is C=C1CC(OC)CC(OC)C1.
What is the InChIKey of 1,3-dimethoxy-5-methylidenecyclohexane?
The InChIKey is NJKSZJZBLIFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-4-8(10-2)6-9(5-7)11-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 1,3-dimethoxy-5-methylidenecyclohexane?
1,3-dimethoxy-5-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 1,3-dimethoxy-5-methylidenecyclohexane is sourced from PubChem (CID 15710807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).