(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol

C10H18O3 — CID 59748857

IUPAC(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESC/C(=C/COC1CCCCO1)CO
InChIInChI=1S/C10H18O3/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10-11H,2-4,6-8H2,1H3/b9-5-
InChIKeyJXHVEFAOPDYCDN-UITAMQMPSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol

(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol (PubChem CID 59748857) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
PubChem CID59748857
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
SMILESC/C(=C/COC1CCCCO1)CO
InChIInChI=1S/C10H18O3/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10-11H,2-4,6-8H2,1H3/b9-5-
InChIKeyJXHVEFAOPDYCDN-UITAMQMPSA-N
XLogP1.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enyl] acetate
CID 11096364
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2-[(2Z)-2,6-dimethylhepta-2,5-dienoxy]oxane
CID 10775534
[3-methyl-4-(oxan-2-yloxy)but-2-enyl] methanesulfonate
CID 90823584

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The IUPAC name of (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol (CID 59748857) is (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The canonical SMILES for (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol is C/C(=C/COC1CCCCO1)CO.
What is the InChIKey of (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
The InChIKey is JXHVEFAOPDYCDN-UITAMQMPSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h5,10-11H,2-4,6-8H2,1H3/b9-5-.
What are the key properties of (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol?
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol is sourced from PubChem (CID 59748857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).