(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol

C9H16O3 — CID 89225639

IUPAC(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol
SMILESC=C1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C9H16O3/c1-6-5-9(3,11-4)8(10)7(2)12-6/h7-8,10H,1,5H2,2-4H3/t7-,8-,9+/m0/s1
InChIKeyQVUFMXBKYMOZKK-XHNCKOQMSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds1

About (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol

(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol (PubChem CID 89225639) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol
PubChem CID89225639
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol
SMILESC=C1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C9H16O3/c1-6-5-9(3,11-4)8(10)7(2)12-6/h7-8,10H,1,5H2,2-4H3/t7-,8-,9+/m0/s1
InChIKeyQVUFMXBKYMOZKK-XHNCKOQMSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol?
The IUPAC name of (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol (CID 89225639) is (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol.
What is the SMILES notation for (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol?
The canonical SMILES for (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol is C=C1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol?
The InChIKey is QVUFMXBKYMOZKK-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-5-9(3,11-4)8(10)7(2)12-6/h7-8,10H,1,5H2,2-4H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol?
(2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-methoxy-2,4-dimethyl-6-methylideneoxan-3-ol is sourced from PubChem (CID 89225639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).