(E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol

C10H18O3 — CID 12842695

IUPAC(E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC[C@@H](/C=C/CO)OC1CCCCO1
InChIInChI=1S/C10H18O3/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h4-5,9-11H,2-3,6-8H2,1H3/b5-4+/t9-,10?/m0/s1
InChIKeyVEXIBJGBKMLQJI-WTPAVHSTSA-N
MW186.25 g/mol
LogP1.47
Rot. Bonds4

About (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol

(E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol (PubChem CID 12842695) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol.

Molecular Properties

Compound Name(E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
PubChem CID12842695
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC[C@@H](/C=C/CO)OC1CCCCO1
InChIInChI=1S/C10H18O3/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h4-5,9-11H,2-3,6-8H2,1H3/b5-4+/t9-,10?/m0/s1
InChIKeyVEXIBJGBKMLQJI-WTPAVHSTSA-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

2,6-Dimethyl-8-(tetrahydropyran-2-yloxy)-octa-2,6-dien-1-ol
CID 5367918
(Z)-4-(Tetrahydro-2H-pyran-2-yl-oxy)but-2-en-1-ol
CID 10975949
2-(6-Hydroxy-trans-4-hexenyloxy)tetrahydropyran
CID 13411670
(E)-4-(oxan-2-yloxy)but-2-en-1-ol
CID 12927815
cis-4-Tetrahydropyranyloxy 2-cyclopentenol
CID 13623252
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(2E,4E)-7-(oxan-2-yloxy)hepta-2,4-dien-1-ol
CID 14888425
(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 11042854
1,1-Diathoxy-4-hydroxy-2-penten
CID 85393239
(2E,4R)-4-(methoxymethoxy)octa-2,7-dien-1-ol
CID 102297137
(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dien-1-ol
CID 102406712
1,10-Dioxaspiro[4.5]dec-3-en-2-ol
CID 130129233

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The IUPAC name of (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol (CID 12842695) is (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol.
What is the SMILES notation for (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The canonical SMILES for (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol is C[C@@H](/C=C/CO)OC1CCCCO1.
What is the InChIKey of (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The InChIKey is VEXIBJGBKMLQJI-WTPAVHSTSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h4-5,9-11H,2-3,6-8H2,1H3/b5-4+/t9-,10?/m0/s1.
What are the key properties of (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
(E,4S)-4-(oxan-2-yloxy)pent-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 (E,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol is sourced from PubChem (CID 12842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).