3-(methoxymethyl)-2-methylhexa-2,4-diene

C9H16O — CID 123167394

IUPAC3-(methoxymethyl)-2-methylhexa-2,4-diene
SMILESCC=CC(COC)=C(C)C
InChIInChI=1S/C9H16O/c1-5-6-9(7-10-4)8(2)3/h5-6H,7H2,1-4H3
InChIKeyGCMGQROIQCWWLP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.55
Rot. Bonds3

About 3-(methoxymethyl)-2-methylhexa-2,4-diene

3-(methoxymethyl)-2-methylhexa-2,4-diene (PubChem CID 123167394) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-methylhexa-2,4-diene.

Molecular Properties

Compound Name3-(methoxymethyl)-2-methylhexa-2,4-diene
PubChem CID123167394
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-(methoxymethyl)-2-methylhexa-2,4-diene
SMILESCC=CC(COC)=C(C)C
InChIInChI=1S/C9H16O/c1-5-6-9(7-10-4)8(2)3/h5-6H,7H2,1-4H3
InChIKeyGCMGQROIQCWWLP-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
4-ethylidene-6-propan-2-ylidenenona-1,7-diene
CID 91411455
(3S,6Z)-3-fluoro-5-propan-2-ylideneocta-1,6-dien-2-amine
CID 163993570
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide
CID 172614344
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
(1-methoxy-3-methylbut-2-en-2-yl)oxysilane
CID 173394911
(2E,4Z)-3-(hydroperoxymethyl)hexa-2,4-diene
CID 89084201
2,5-dimethylocta-2,4,6-trienyl acetate
CID 122552471
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-methylhexa-2,4-diene?
The IUPAC name of 3-(methoxymethyl)-2-methylhexa-2,4-diene (CID 123167394) is 3-(methoxymethyl)-2-methylhexa-2,4-diene.
What is the SMILES notation for 3-(methoxymethyl)-2-methylhexa-2,4-diene?
The canonical SMILES for 3-(methoxymethyl)-2-methylhexa-2,4-diene is CC=CC(COC)=C(C)C.
What is the InChIKey of 3-(methoxymethyl)-2-methylhexa-2,4-diene?
The InChIKey is GCMGQROIQCWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-6-9(7-10-4)8(2)3/h5-6H,7H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-2-methylhexa-2,4-diene?
3-(methoxymethyl)-2-methylhexa-2,4-diene has a molecular weight of 140.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-methylhexa-2,4-diene is sourced from PubChem (CID 123167394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).