5-methoxy-6-methylhept-1-ene

C9H18O — CID 23385176

IUPAC5-methoxy-6-methylhept-1-ene
SMILESC=CCCC(OC)C(C)C
InChIInChI=1S/C9H18O/c1-5-6-7-9(10-4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyVCDYTBAUQJCIBG-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.62
Rot. Bonds5

About 5-methoxy-6-methylhept-1-ene

5-methoxy-6-methylhept-1-ene (PubChem CID 23385176) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 5-methoxy-6-methylhept-1-ene.

Molecular Properties

Compound Name5-methoxy-6-methylhept-1-ene
PubChem CID23385176
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name5-methoxy-6-methylhept-1-ene
SMILESC=CCCC(OC)C(C)C
InChIInChI=1S/C9H18O/c1-5-6-7-9(10-4)8(2)3/h5,8-9H,1,6-7H2,2-4H3
InChIKeyVCDYTBAUQJCIBG-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

[3-methyl-1-(methylamino)-1-oxobutan-2-yl] 3-methoxy-2-methylhept-6-enoate
CID 123779722
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
hex-5-en-2-yl(trimethoxy)silane
CID 22907711
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
ethane;1-[1-methoxypent-4-enyl(methyl)amino]oxyethanol
CID 143366439
3-methoxyhept-6-en-2-one
CID 45085639
(3S)-3-methylhepta-1,6-diene
CID 145257056
hex-5-ene-2-thiol
CID 12575095
(4S)-4-methoxy-5-methylhexan-1-ol
CID 131848315
2-methyloct-7-ene-3,4-diol
CID 103456684
5-ethyl-6-methyloct-1-ene
CID 123326070
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-methylhept-1-ene?
The IUPAC name of 5-methoxy-6-methylhept-1-ene (CID 23385176) is 5-methoxy-6-methylhept-1-ene.
What is the SMILES notation for 5-methoxy-6-methylhept-1-ene?
The canonical SMILES for 5-methoxy-6-methylhept-1-ene is C=CCCC(OC)C(C)C.
What is the InChIKey of 5-methoxy-6-methylhept-1-ene?
The InChIKey is VCDYTBAUQJCIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-7-9(10-4)8(2)3/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 5-methoxy-6-methylhept-1-ene?
5-methoxy-6-methylhept-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-methylhept-1-ene is sourced from PubChem (CID 23385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).