1-methoxy-2-(methoxymethyl)hept-2-ene

C10H20O2 — CID 140969720

IUPAC1-methoxy-2-(methoxymethyl)hept-2-ene
SMILESCCCCC=C(COC)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10(8-11-2)9-12-3/h7H,4-6,8-9H2,1-3H3
InChIKeyHHJWKQTYKSGOER-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds7

About 1-methoxy-2-(methoxymethyl)hept-2-ene

1-methoxy-2-(methoxymethyl)hept-2-ene (PubChem CID 140969720) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)hept-2-ene.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)hept-2-ene
PubChem CID140969720
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-methoxy-2-(methoxymethyl)hept-2-ene
SMILESCCCCC=C(COC)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10(8-11-2)9-12-3/h7H,4-6,8-9H2,1-3H3
InChIKeyHHJWKQTYKSGOER-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)hept-2-ene?
The IUPAC name of 1-methoxy-2-(methoxymethyl)hept-2-ene (CID 140969720) is 1-methoxy-2-(methoxymethyl)hept-2-ene.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)hept-2-ene?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)hept-2-ene is CCCCC=C(COC)COC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)hept-2-ene?
The InChIKey is HHJWKQTYKSGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-10(8-11-2)9-12-3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)hept-2-ene?
1-methoxy-2-(methoxymethyl)hept-2-ene has a molecular weight of 172.27 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)hept-2-ene is sourced from PubChem (CID 140969720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).