(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol

C8H16O3 — CID 132553989

IUPAC(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@H](O)[C@H](CO)OC
InChIInChI=1S/C8H16O3/c1-6(2)4-7(10)8(5-9)11-3/h7-10H,1,4-5H2,2-3H3/t7-,8+/m1/s1
InChIKeyPCDDFCFYGKOOQG-SFYZADRCSA-N
MW160.21 g/mol
LogP0.32
Rot. Bonds5

About (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol

(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol (PubChem CID 132553989) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol
PubChem CID132553989
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@H](O)[C@H](CO)OC
InChIInChI=1S/C8H16O3/c1-6(2)4-7(10)8(5-9)11-3/h7-10H,1,4-5H2,2-3H3/t7-,8+/m1/s1
InChIKeyPCDDFCFYGKOOQG-SFYZADRCSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol (CID 132553989) is (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol is C=C(C)C[C@@H](O)[C@H](CO)OC.
What is the InChIKey of (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol?
The InChIKey is PCDDFCFYGKOOQG-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)4-7(10)8(5-9)11-3/h7-10H,1,4-5H2,2-3H3/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol?
(2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol has a molecular weight of 160.21 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methoxy-5-methylhex-5-ene-1,3-diol is sourced from PubChem (CID 132553989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).