2,4-dimethoxy-3-methylhex-2-ene

C9H18O2 — CID 91148659

IUPAC2,4-dimethoxy-3-methylhex-2-ene
SMILESCCC(OC)C(C)=C(C)OC
InChIInChI=1S/C9H18O2/c1-6-9(11-5)7(2)8(3)10-4/h9H,6H2,1-5H3
InChIKeySBTXSBMTLAEFBO-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds4

About 2,4-dimethoxy-3-methylhex-2-ene

2,4-dimethoxy-3-methylhex-2-ene (PubChem CID 91148659) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methylhex-2-ene.

Molecular Properties

Compound Name2,4-dimethoxy-3-methylhex-2-ene
PubChem CID91148659
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2,4-dimethoxy-3-methylhex-2-ene
SMILESCCC(OC)C(C)=C(C)OC
InChIInChI=1S/C9H18O2/c1-6-9(11-5)7(2)8(3)10-4/h9H,6H2,1-5H3
InChIKeySBTXSBMTLAEFBO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2E)-3,7-dimethyl-1-[(E)-2-methylbut-1-enoxy]octa-2,6-diene
CID 10537024
(2E)-3,7-dimethyl-1-[(Z)-2-methylbut-1-enoxy]octa-2,6-diene
CID 10751531
(Z)-2-fluoro-3-methyl-4-(3-methylbut-2-en-2-yloxy)pent-2-ene
CID 59078963
4-Methoxy-2,3-dimethylpent-2-ene
CID 21134687
1-Methoxy-4-(1-methoxyethyl)cyclohexa-1,4-diene
CID 21546439
4,6-diethyl-3,5-dimethyl-2H-pyran
CID 23053441
4-Methoxy-2,3,5-trimethylhex-2-ene
CID 23385074
(Z)-4-methanidyl-3,5-dimethoxyhept-3-ene;yttrium
CID 59027665
(4R)-4-methoxy-2,3,5-trimethylhex-2-ene
CID 59039384
3,6-Dimethoxy-1,2,4,5-tetramethylcyclohexa-1,4-diene
CID 68493704
(6Z)-8-methoxy-2,6-dimethylnona-2,6-diene
CID 89366865
(6E)-8-methoxy-2,6-dimethylnona-2,6-diene
CID 89504761

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methylhex-2-ene?
The IUPAC name of 2,4-dimethoxy-3-methylhex-2-ene (CID 91148659) is 2,4-dimethoxy-3-methylhex-2-ene.
What is the SMILES notation for 2,4-dimethoxy-3-methylhex-2-ene?
The canonical SMILES for 2,4-dimethoxy-3-methylhex-2-ene is CCC(OC)C(C)=C(C)OC.
What is the InChIKey of 2,4-dimethoxy-3-methylhex-2-ene?
The InChIKey is SBTXSBMTLAEFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-9(11-5)7(2)8(3)10-4/h9H,6H2,1-5H3.
What are the key properties of 2,4-dimethoxy-3-methylhex-2-ene?
2,4-dimethoxy-3-methylhex-2-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methylhex-2-ene is sourced from PubChem (CID 91148659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).