(E)-1-methoxy-3-(methoxymethyl)hept-2-ene

C10H20O2 — CID 131971126

IUPAC(E)-1-methoxy-3-(methoxymethyl)hept-2-ene
SMILESCCCC/C(=C\COC)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-10(9-12-3)7-8-11-2/h7H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyHDDMZCOEHXICKA-JXMROGBWSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds7

About (E)-1-methoxy-3-(methoxymethyl)hept-2-ene

(E)-1-methoxy-3-(methoxymethyl)hept-2-ene (PubChem CID 131971126) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1-methoxy-3-(methoxymethyl)hept-2-ene.

Molecular Properties

Compound Name(E)-1-methoxy-3-(methoxymethyl)hept-2-ene
PubChem CID131971126
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1-methoxy-3-(methoxymethyl)hept-2-ene
SMILESCCCC/C(=C\COC)COC
InChIInChI=1S/C10H20O2/c1-4-5-6-10(9-12-3)7-8-11-2/h7H,4-6,8-9H2,1-3H3/b10-7+
InChIKeyHDDMZCOEHXICKA-JXMROGBWSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
Farnesyl methyl ether
CID 5365855
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
1-Methoxy-3,7,11-trimethyldodeca-2,6,10-triene
CID 85807
3-Pentyl-2,5-dihydrofuran
CID 15647309
1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 75724
(3E,7E,11E)-3,7,11-trimethyl-1-oxacyclotrideca-3,7,11-triene
CID 13966975

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-3-(methoxymethyl)hept-2-ene?
The IUPAC name of (E)-1-methoxy-3-(methoxymethyl)hept-2-ene (CID 131971126) is (E)-1-methoxy-3-(methoxymethyl)hept-2-ene.
What is the SMILES notation for (E)-1-methoxy-3-(methoxymethyl)hept-2-ene?
The canonical SMILES for (E)-1-methoxy-3-(methoxymethyl)hept-2-ene is CCCC/C(=C\COC)COC.
What is the InChIKey of (E)-1-methoxy-3-(methoxymethyl)hept-2-ene?
The InChIKey is HDDMZCOEHXICKA-JXMROGBWSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-10(9-12-3)7-8-11-2/h7H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of (E)-1-methoxy-3-(methoxymethyl)hept-2-ene?
(E)-1-methoxy-3-(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 (E)-1-methoxy-3-(methoxymethyl)hept-2-ene is sourced from PubChem (CID 131971126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).