1-(3-methoxypropoxy)-3-methylidenecyclohexane

C11H20O2 — CID 91235286

IUPAC1-(3-methoxypropoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OCCCOC)C1
InChIInChI=1S/C11H20O2/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h11H,1,3-9H2,2H3
InChIKeyVLJBVERFBALGBC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.54
Rot. Bonds5

About 1-(3-methoxypropoxy)-3-methylidenecyclohexane

1-(3-methoxypropoxy)-3-methylidenecyclohexane (PubChem CID 91235286) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)-3-methylidenecyclohexane.

Molecular Properties

Compound Name1-(3-methoxypropoxy)-3-methylidenecyclohexane
PubChem CID91235286
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3-methoxypropoxy)-3-methylidenecyclohexane
SMILESC=C1CCCC(OCCCOC)C1
InChIInChI=1S/C11H20O2/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h11H,1,3-9H2,2H3
InChIKeyVLJBVERFBALGBC-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
1,3-Dimethoxy-5-methylidenecyclohexane
CID 15710807
2-Fluoro-1-methoxy-3-methylidenecyclohexane
CID 90760716
1-Fluoro-3-methoxy-5-methylidenecyclohexane
CID 91244013
1-Ethoxy-2-fluoro-4-methylidenecyclohexane
CID 91248539
2-Fluoro-1-(2-methoxyethoxy)-4-methylidenecyclohexane
CID 91444583
1-Fluoro-2-methoxy-4-methylidenecyclohexane
CID 91462992
2-methyl-4-methylenetetrahydro-2H-pyran
CID 12338272
1-Ethoxy-2-methylidenecyclohexane
CID 13740583
1-Methoxy-4-methylidenecyclohexane
CID 13808286
1-Ethenylidene-3-ethoxy-2-methylidenecyclohexane
CID 20689741
3-Methylbut-3-enoxycyclohexane
CID 21270362

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropoxy)-3-methylidenecyclohexane?
The IUPAC name of 1-(3-methoxypropoxy)-3-methylidenecyclohexane (CID 91235286) is 1-(3-methoxypropoxy)-3-methylidenecyclohexane.
What is the SMILES notation for 1-(3-methoxypropoxy)-3-methylidenecyclohexane?
The canonical SMILES for 1-(3-methoxypropoxy)-3-methylidenecyclohexane is C=C1CCCC(OCCCOC)C1.
What is the InChIKey of 1-(3-methoxypropoxy)-3-methylidenecyclohexane?
The InChIKey is VLJBVERFBALGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h11H,1,3-9H2,2H3.
What are the key properties of 1-(3-methoxypropoxy)-3-methylidenecyclohexane?
1-(3-methoxypropoxy)-3-methylidenecyclohexane has a molecular weight of 184.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)-3-methylidenecyclohexane is sourced from PubChem (CID 91235286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).