2-methoxy-3-methylbut-1-ene;molecular hydrogen

C6H14O — CID 159874902

IUPAC2-methoxy-3-methylbut-1-ene;molecular hydrogen
SMILESC=C(OC)C(C)C.[H][H]
InChIInChI=1S/C6H12O.H2/c1-5(2)6(3)7-4;/h5H,3H2,1-2,4H3;1H
InChIKeyNSTWPWSWOWFBOM-UHFFFAOYSA-N
MW102.18 g/mol
LogP2.05
Rot. Bonds2

About 2-methoxy-3-methylbut-1-ene;molecular hydrogen

2-methoxy-3-methylbut-1-ene;molecular hydrogen (PubChem CID 159874902) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2-methoxy-3-methylbut-1-ene;molecular hydrogen.

Molecular Properties

Compound Name2-methoxy-3-methylbut-1-ene;molecular hydrogen
PubChem CID159874902
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2-methoxy-3-methylbut-1-ene;molecular hydrogen
SMILESC=C(OC)C(C)C.[H][H]
InChIInChI=1S/C6H12O.H2/c1-5(2)6(3)7-4;/h5H,3H2,1-2,4H3;1H
InChIKeyNSTWPWSWOWFBOM-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylbut-1-ene;molecular hydrogen?
The IUPAC name of 2-methoxy-3-methylbut-1-ene;molecular hydrogen (CID 159874902) is 2-methoxy-3-methylbut-1-ene;molecular hydrogen.
What is the SMILES notation for 2-methoxy-3-methylbut-1-ene;molecular hydrogen?
The canonical SMILES for 2-methoxy-3-methylbut-1-ene;molecular hydrogen is C=C(OC)C(C)C.[H][H].
What is the InChIKey of 2-methoxy-3-methylbut-1-ene;molecular hydrogen?
The InChIKey is NSTWPWSWOWFBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.H2/c1-5(2)6(3)7-4;/h5H,3H2,1-2,4H3;1H.
What are the key properties of 2-methoxy-3-methylbut-1-ene;molecular hydrogen?
2-methoxy-3-methylbut-1-ene;molecular hydrogen has a molecular weight of 102.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylbut-1-ene;molecular hydrogen is sourced from PubChem (CID 159874902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).