4-methoxy-2,5-dimethylhex-2-ene

C9H18O — CID 23385075

IUPAC4-methoxy-2,5-dimethylhex-2-ene
SMILESCOC(C=C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6,8-9H,1-5H3
InChIKeyKBCUVCPGYTYHTR-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds3

About 4-methoxy-2,5-dimethylhex-2-ene

4-methoxy-2,5-dimethylhex-2-ene (PubChem CID 23385075) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethylhex-2-ene.

Molecular Properties

Compound Name4-methoxy-2,5-dimethylhex-2-ene
PubChem CID23385075
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name4-methoxy-2,5-dimethylhex-2-ene
SMILESCOC(C=C(C)C)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6,8-9H,1-5H3
InChIKeyKBCUVCPGYTYHTR-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Farnesyl methyl ether
CID 5365855
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(2R)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600448
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
2H-Pyran, 5,6-dihydro-4,5-dimethyl-2-(2-methyl-1-propen-1-yl)-
CID 103463
(2S)-3-methyl-2-(3-methylbut-2-enyl)-2,5-dihydrofuran
CID 101600447
(3S,6S)-3,6-dimethoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 162982358
1-Methoxy-3,7,11-trimethyldodeca-2,6,10-triene
CID 85807

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethylhex-2-ene?
The IUPAC name of 4-methoxy-2,5-dimethylhex-2-ene (CID 23385075) is 4-methoxy-2,5-dimethylhex-2-ene.
What is the SMILES notation for 4-methoxy-2,5-dimethylhex-2-ene?
The canonical SMILES for 4-methoxy-2,5-dimethylhex-2-ene is COC(C=C(C)C)C(C)C.
What is the InChIKey of 4-methoxy-2,5-dimethylhex-2-ene?
The InChIKey is KBCUVCPGYTYHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6,8-9H,1-5H3.
What are the key properties of 4-methoxy-2,5-dimethylhex-2-ene?
4-methoxy-2,5-dimethylhex-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethylhex-2-ene is sourced from PubChem (CID 23385075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).