1-methoxy-4,5-dimethylhex-3-ene

C9H18O — CID 90948213

IUPAC1-methoxy-4,5-dimethylhex-3-ene
SMILESCOCCC=C(C)C(C)C
InChIInChI=1S/C9H18O/c1-8(2)9(3)6-5-7-10-4/h6,8H,5,7H2,1-4H3
InChIKeyRGQRVGDOWFKOPF-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds4

About 1-methoxy-4,5-dimethylhex-3-ene

1-methoxy-4,5-dimethylhex-3-ene (PubChem CID 90948213) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-methoxy-4,5-dimethylhex-3-ene.

Molecular Properties

Compound Name1-methoxy-4,5-dimethylhex-3-ene
PubChem CID90948213
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-methoxy-4,5-dimethylhex-3-ene
SMILESCOCCC=C(C)C(C)C
InChIInChI=1S/C9H18O/c1-8(2)9(3)6-5-7-10-4/h6,8H,5,7H2,1-4H3
InChIKeyRGQRVGDOWFKOPF-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
1,6-dimethoxy-3-(2-methoxyethyl)hex-3-ene
CID 88634605
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
6,7-dimethyloct-5-enoic acid
CID 162716838
2,3,8-trimethyldec-3-ene
CID 123648225
2,4-dimethylpent-1-en-3-one;4-methoxybut-1-ene
CID 157278804
5-methoxy-4-methylhex-3-en-1-ol
CID 91271839
(E)-N,N,3,4-tetramethylpent-2-en-1-amine
CID 59115911
(5E)-3,6,7-trimethylocta-2,5-diene
CID 91463486
6-methoxy-2-methylhex-2-ene
CID 59087760
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
CID 169426930

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,5-dimethylhex-3-ene?
The IUPAC name of 1-methoxy-4,5-dimethylhex-3-ene (CID 90948213) is 1-methoxy-4,5-dimethylhex-3-ene.
What is the SMILES notation for 1-methoxy-4,5-dimethylhex-3-ene?
The canonical SMILES for 1-methoxy-4,5-dimethylhex-3-ene is COCCC=C(C)C(C)C.
What is the InChIKey of 1-methoxy-4,5-dimethylhex-3-ene?
The InChIKey is RGQRVGDOWFKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)9(3)6-5-7-10-4/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-methoxy-4,5-dimethylhex-3-ene?
1-methoxy-4,5-dimethylhex-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,5-dimethylhex-3-ene is sourced from PubChem (CID 90948213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).