(2S,4S)-4-methoxyhept-6-ene-1,2-diol

C8H16O3 — CID 24824012

IUPAC(2S,4S)-4-methoxyhept-6-ene-1,2-diol
SMILESC=CC[C@@H](C[C@H](O)CO)OC
InChIInChI=1S/C8H16O3/c1-3-4-8(11-2)5-7(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyFWRHUHIWATTZMO-YUMQZZPRSA-N
MW160.21 g/mol
LogP0.32
Rot. Bonds6

About (2S,4S)-4-methoxyhept-6-ene-1,2-diol

(2S,4S)-4-methoxyhept-6-ene-1,2-diol (PubChem CID 24824012) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,4S)-4-methoxyhept-6-ene-1,2-diol.

Molecular Properties

Compound Name(2S,4S)-4-methoxyhept-6-ene-1,2-diol
PubChem CID24824012
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,4S)-4-methoxyhept-6-ene-1,2-diol
SMILESC=CC[C@@H](C[C@H](O)CO)OC
InChIInChI=1S/C8H16O3/c1-3-4-8(11-2)5-7(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyFWRHUHIWATTZMO-YUMQZZPRSA-N
XLogP0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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,4S)-4-methoxyhept-6-ene-1,2-diol?
The IUPAC name of (2S,4S)-4-methoxyhept-6-ene-1,2-diol (CID 24824012) is (2S,4S)-4-methoxyhept-6-ene-1,2-diol.
What is the SMILES notation for (2S,4S)-4-methoxyhept-6-ene-1,2-diol?
The canonical SMILES for (2S,4S)-4-methoxyhept-6-ene-1,2-diol is C=CC[C@@H](C[C@H](O)CO)OC.
What is the InChIKey of (2S,4S)-4-methoxyhept-6-ene-1,2-diol?
The InChIKey is FWRHUHIWATTZMO-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-8(11-2)5-7(10)6-9/h3,7-10H,1,4-6H2,2H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-methoxyhept-6-ene-1,2-diol?
(2S,4S)-4-methoxyhept-6-ene-1,2-diol has a molecular weight of 160.21 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxyhept-6-ene-1,2-diol is sourced from PubChem (CID 24824012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).