(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol

C8H16O3 — CID 14758998

IUPAC(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol
SMILESC=CC[C@H](OC)[C@H](O)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-5-7(11-3)8(10)6(2)9/h4,6-10H,1,5H2,2-3H3/t6-,7+,8-/m1/s1
InChIKeyNNCYVJVOSTYTJA-GJMOJQLCSA-N
MW160.21 g/mol
LogP0.32
Rot. Bonds5

About (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol

(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol (PubChem CID 14758998) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol
PubChem CID14758998
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol
SMILESC=CC[C@H](OC)[C@H](O)[C@@H](C)O
InChIInChI=1S/C8H16O3/c1-4-5-7(11-3)8(10)6(2)9/h4,6-10H,1,5H2,2-3H3/t6-,7+,8-/m1/s1
InChIKeyNNCYVJVOSTYTJA-GJMOJQLCSA-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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Related Compounds

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6-Heptene-2,4-diol
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3-Icosa-5,8,11,14-tetraenoxypropane-1,2-diol
CID 49824024
(2R,3S)-hex-5-ene-1,2,3-triol
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2-AG ether;2-Arachidonylglyceryl ether;HU 310
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CID 15694188
(4R,5R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 71573609
(4R,5S,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 129321816
1,7-Octadiene-4,5-diol
CID 10942542
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CID 11320993

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol?
The IUPAC name of (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol (CID 14758998) is (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol.
What is the SMILES notation for (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol?
The canonical SMILES for (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol is C=CC[C@H](OC)[C@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol?
The InChIKey is NNCYVJVOSTYTJA-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5-7(11-3)8(10)6(2)9/h4,6-10H,1,5H2,2-3H3/t6-,7+,8-/m1/s1.
What are the key properties of (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol?
(2R,3R,4S)-4-methoxyhept-6-ene-2,3-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 (2R,3R,4S)-4-methoxyhept-6-ene-2,3-diol is sourced from PubChem (CID 14758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).