3-methoxy-2-methylhex-1-ene

C8H16O — CID 123417422

IUPAC3-methoxy-2-methylhex-1-ene
SMILESC=C(C)C(CCC)OC
InChIInChI=1S/C8H16O/c1-5-6-8(9-4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyUEMSPYVLOCKZKW-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.38
Rot. Bonds4

About 3-methoxy-2-methylhex-1-ene

3-methoxy-2-methylhex-1-ene (PubChem CID 123417422) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methoxy-2-methylhex-1-ene.

Molecular Properties

Compound Name3-methoxy-2-methylhex-1-ene
PubChem CID123417422
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methoxy-2-methylhex-1-ene
SMILESC=C(C)C(CCC)OC
InChIInChI=1S/C8H16O/c1-5-6-8(9-4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKeyUEMSPYVLOCKZKW-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.38
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

3-hydroperoxy-2-methylhex-1-ene
CID 12949710
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
methyl (2R)-2-methoxypentanoate
CID 30403288
methyl 2-methoxypentanimidate
CID 116727295
3-methoxy-2-oxohexanal
CID 91124811
1-prop-1-en-2-yloxybutan-1-ol
CID 141138090
5-methoxy-2-methyloctan-4-one
CID 116708189
5-methoxy-3-methyloctan-4-one
CID 116708022
3-(methoxymethoxy)-2-methylnon-1-ene
CID 542508
6-methoxynon-1-en-5-one
CID 116708016
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575
4-ethoxy-2-methylhept-1-en-3-one
CID 116707899

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylhex-1-ene?
The IUPAC name of 3-methoxy-2-methylhex-1-ene (CID 123417422) is 3-methoxy-2-methylhex-1-ene.
What is the SMILES notation for 3-methoxy-2-methylhex-1-ene?
The canonical SMILES for 3-methoxy-2-methylhex-1-ene is C=C(C)C(CCC)OC.
What is the InChIKey of 3-methoxy-2-methylhex-1-ene?
The InChIKey is UEMSPYVLOCKZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-8(9-4)7(2)3/h8H,2,5-6H2,1,3-4H3.
What are the key properties of 3-methoxy-2-methylhex-1-ene?
3-methoxy-2-methylhex-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylhex-1-ene is sourced from PubChem (CID 123417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).