(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol

C10H18O3 — CID 67845856

IUPAC(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol
SMILESCC(O)/C(O)=C/CC1CCCCO1
InChIInChI=1S/C10H18O3/c1-8(11)10(12)6-5-9-4-2-3-7-13-9/h6,8-9,11-12H,2-5,7H2,1H3/b10-6-
InChIKeyXBPOLDPPEQBYDA-POHAHGRESA-N
MW186.25 g/mol
LogP1.77
Rot. Bonds3

About (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol

(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol (PubChem CID 67845856) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol.

Molecular Properties

Compound Name(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol
PubChem CID67845856
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol
SMILESCC(O)/C(O)=C/CC1CCCCO1
InChIInChI=1S/C10H18O3/c1-8(11)10(12)6-5-9-4-2-3-7-13-9/h6,8-9,11-12H,2-5,7H2,1H3/b10-6-
InChIKeyXBPOLDPPEQBYDA-POHAHGRESA-N
XLogP1.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-3-undecylcyclohexa-2,5-diene-1,2,4,5-tetrol
CID 162971814
(2R,3S,4S,5S)-2-[(3E,5S)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]oxane-3,4,5-triol
CID 163104804
Eutypeterpene I
CID 170988906
2-(2-Methylpropoxy)cyclohex-2-en-1-ol
CID 13333792
(2R,3S,4S,5R,6E)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
CID 78210125
4-Pentylcyclohex-3-ene-1,2-diol
CID 91066451
(1S)-2-(2-methylpropoxy)cyclohex-2-en-1-ol
CID 130741523
(3E)-cyclododec-3-ene-1,2-diol
CID 134889571
(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol
CID 134966934
(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
CID 135045692
(E)-dodec-3-ene-1,2,12-triol
CID 135050631
5-Methoxynon-2-en-4-ol
CID 178416686

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol?
The IUPAC name of (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol (CID 67845856) is (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol.
What is the SMILES notation for (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol?
The canonical SMILES for (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol is CC(O)/C(O)=C/CC1CCCCO1.
What is the InChIKey of (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol?
The InChIKey is XBPOLDPPEQBYDA-POHAHGRESA-N. The full InChI is InChI=1S/C10H18O3/c1-8(11)10(12)6-5-9-4-2-3-7-13-9/h6,8-9,11-12H,2-5,7H2,1H3/b10-6-.
What are the key properties of (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol?
(Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol has a molecular weight of 186.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(oxan-2-yl)pent-3-ene-2,3-diol is sourced from PubChem (CID 67845856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).