4-methoxy-2,3-dimethylpent-1-ene

C8H16O — CID 13025009

IUPAC4-methoxy-2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)C(C)OC
InChIInChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h7-8H,1H2,2-5H3
InChIKeyCYRNPJUKGJRMSN-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.23
Rot. Bonds3

About 4-methoxy-2,3-dimethylpent-1-ene

4-methoxy-2,3-dimethylpent-1-ene (PubChem CID 13025009) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylpent-1-ene.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylpent-1-ene
PubChem CID13025009
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name4-methoxy-2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)C(C)OC
InChIInChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h7-8H,1H2,2-5H3
InChIKeyCYRNPJUKGJRMSN-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.23
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

4-methoxy-3-methylpentan-2-imine
CID 174533690
3-methylbut-3-en-2-yloxyphosphane
CID 118861464
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
N-ethyl-4-methoxy-2-methylpent-1-en-3-amine
CID 79616696
CID 123438573
CID 123438573
4,4-dichloro-2,3-dimethylbut-1-ene
CID 142049943
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
(3S,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979804
3,4,5-trimethylhex-5-en-2-one
CID 123545933
(3R,4S)-2,4,5-trimethylhex-5-en-3-ol
CID 14979803
2-chloro-3-methoxybutane
CID 23424437
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethylpent-1-ene?
The IUPAC name of 4-methoxy-2,3-dimethylpent-1-ene (CID 13025009) is 4-methoxy-2,3-dimethylpent-1-ene.
What is the SMILES notation for 4-methoxy-2,3-dimethylpent-1-ene?
The canonical SMILES for 4-methoxy-2,3-dimethylpent-1-ene is C=C(C)C(C)C(C)OC.
What is the InChIKey of 4-methoxy-2,3-dimethylpent-1-ene?
The InChIKey is CYRNPJUKGJRMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(2)7(3)8(4)9-5/h7-8H,1H2,2-5H3.
What are the key properties of 4-methoxy-2,3-dimethylpent-1-ene?
4-methoxy-2,3-dimethylpent-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylpent-1-ene is sourced from PubChem (CID 13025009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).