6-[(E)-but-2-enyl]oxan-2-ol

C9H16O2 — CID 130128991

IUPAC6-[(E)-but-2-enyl]oxan-2-ol
SMILESC/C=C/CC1CCCC(O)O1
InChIInChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h2-3,8-10H,4-7H2,1H3/b3-2+
InChIKeyVDAIXBNQFMBPON-NSCUHMNNSA-N
MW156.22 g/mol
LogP1.84
Rot. Bonds2

About 6-[(E)-but-2-enyl]oxan-2-ol

6-[(E)-but-2-enyl]oxan-2-ol (PubChem CID 130128991) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-[(E)-but-2-enyl]oxan-2-ol.

Molecular Properties

Compound Name6-[(E)-but-2-enyl]oxan-2-ol
PubChem CID130128991
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-[(E)-but-2-enyl]oxan-2-ol
SMILESC/C=C/CC1CCCC(O)O1
InChIInChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h2-3,8-10H,4-7H2,1H3/b3-2+
InChIKeyVDAIXBNQFMBPON-NSCUHMNNSA-N
XLogP1.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(E)-but-2-enyl]oxan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-2-[(E)-pent-3-enyl]oxane-2,4-diol
CID 162918456
Applanatol A
CID 170989950
Applanatol B
CID 170989951
(z)-11-(Tetrahydropyranyloxy)undec-4-en-1-ol
CID 14057667
(2R,4S)-2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
CID 11117066
2-methoxy-2-[(E)-pent-3-enyl]oxan-4-ol
CID 19096656
6-Pent-3-enyloxan-2-ol
CID 69715625
2-[(4S,6R)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]ethanol
CID 21681679
(2R)-6-(oxan-2-yloxy)undec-10-en-2-ol
CID 54590122
6-Prop-2-enyloxan-2-ol
CID 73001182
6-But-3-enyloxan-2-ol
CID 85806394
4-Methylene-6-(2-methylprop-1-enyl)tetra-hydro-2h-pyran-2-ol
CID 129745647

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enyl]oxan-2-ol?
The IUPAC name of 6-[(E)-but-2-enyl]oxan-2-ol (CID 130128991) is 6-[(E)-but-2-enyl]oxan-2-ol.
What is the SMILES notation for 6-[(E)-but-2-enyl]oxan-2-ol?
The canonical SMILES for 6-[(E)-but-2-enyl]oxan-2-ol is C/C=C/CC1CCCC(O)O1.
What is the InChIKey of 6-[(E)-but-2-enyl]oxan-2-ol?
The InChIKey is VDAIXBNQFMBPON-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-5-8-6-4-7-9(10)11-8/h2-3,8-10H,4-7H2,1H3/b3-2+.
What are the key properties of 6-[(E)-but-2-enyl]oxan-2-ol?
6-[(E)-but-2-enyl]oxan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enyl]oxan-2-ol is sourced from PubChem (CID 130128991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).