3-[(E)-3-methylbut-1-enyl]oxane

C10H18O — CID 154695436

IUPAC3-[(E)-3-methylbut-1-enyl]oxane
SMILESCC(C)/C=C/C1CCCOC1
InChIInChI=1S/C10H18O/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyDMIZUUVBNUQOLX-AATRIKPKSA-N
MW154.25 g/mol
LogP2.63
Rot. Bonds2

About 3-[(E)-3-methylbut-1-enyl]oxane

3-[(E)-3-methylbut-1-enyl]oxane (PubChem CID 154695436) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 3-[(E)-3-methylbut-1-enyl]oxane.

Molecular Properties

Compound Name3-[(E)-3-methylbut-1-enyl]oxane
PubChem CID154695436
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name3-[(E)-3-methylbut-1-enyl]oxane
SMILESCC(C)/C=C/C1CCCOC1
InChIInChI=1S/C10H18O/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyDMIZUUVBNUQOLX-AATRIKPKSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.63
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

N-methyl-3-(oxan-3-yl)prop-2-en-1-amine
CID 79346781
3-(2-methoxyethenyl)oxane
CID 67314451
(E)-3-[(3R)-oxan-3-yl]prop-2-enenitrile
CID 124508735
3-methyl-4-(oxan-3-yl)but-3-en-2-amine
CID 103091888
(Z)-2-(oxan-3-yl)ethenesulfonyl chloride
CID 117265885
3-(2-bromopropyl)oxane
CID 164664099
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
ethane;3-propan-2-yloxane
CID 143985480
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
3-[(E)-3-chloro-2-methylprop-1-enyl]oxane
CID 79323120
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
1-(oxan-3-yl)propan-2-amine
CID 63737520

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methylbut-1-enyl]oxane?
The IUPAC name of 3-[(E)-3-methylbut-1-enyl]oxane (CID 154695436) is 3-[(E)-3-methylbut-1-enyl]oxane.
What is the SMILES notation for 3-[(E)-3-methylbut-1-enyl]oxane?
The canonical SMILES for 3-[(E)-3-methylbut-1-enyl]oxane is CC(C)/C=C/C1CCCOC1.
What is the InChIKey of 3-[(E)-3-methylbut-1-enyl]oxane?
The InChIKey is DMIZUUVBNUQOLX-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 3-[(E)-3-methylbut-1-enyl]oxane?
3-[(E)-3-methylbut-1-enyl]oxane has a molecular weight of 154.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methylbut-1-enyl]oxane is sourced from PubChem (CID 154695436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).