4-methoxy-4-(methoxymethyl)hepta-1,6-diene

C10H18O2 — CID 10535163

IUPAC4-methoxy-4-(methoxymethyl)hepta-1,6-diene
SMILESC=CCC(CC=C)(COC)OC
InChIInChI=1S/C10H18O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-6H,1-2,7-9H2,3-4H3
InChIKeySLVRIVLMSIZRMO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds7

About 4-methoxy-4-(methoxymethyl)hepta-1,6-diene

4-methoxy-4-(methoxymethyl)hepta-1,6-diene (PubChem CID 10535163) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methoxy-4-(methoxymethyl)hepta-1,6-diene.

Molecular Properties

Compound Name4-methoxy-4-(methoxymethyl)hepta-1,6-diene
PubChem CID10535163
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methoxy-4-(methoxymethyl)hepta-1,6-diene
SMILESC=CCC(CC=C)(COC)OC
InChIInChI=1S/C10H18O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-6H,1-2,7-9H2,3-4H3
InChIKeySLVRIVLMSIZRMO-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
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 4-methoxy-4-(methoxymethyl)hepta-1,6-diene?
The IUPAC name of 4-methoxy-4-(methoxymethyl)hepta-1,6-diene (CID 10535163) is 4-methoxy-4-(methoxymethyl)hepta-1,6-diene.
What is the SMILES notation for 4-methoxy-4-(methoxymethyl)hepta-1,6-diene?
The canonical SMILES for 4-methoxy-4-(methoxymethyl)hepta-1,6-diene is C=CCC(CC=C)(COC)OC.
What is the InChIKey of 4-methoxy-4-(methoxymethyl)hepta-1,6-diene?
The InChIKey is SLVRIVLMSIZRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-10(12-4,8-6-2)9-11-3/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of 4-methoxy-4-(methoxymethyl)hepta-1,6-diene?
4-methoxy-4-(methoxymethyl)hepta-1,6-diene has a molecular weight of 170.25 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-(methoxymethyl)hepta-1,6-diene is sourced from PubChem (CID 10535163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).