(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol

C8H14O3 — CID 89257762

IUPAC(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol
SMILESC=C1C[C@@H](O)[C@H](C)C(CO)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(10)6(2)8(4-9)11-5/h6-10H,1,3-4H2,2H3/t6-,7+,8?/m0/s1
InChIKeyDOTZPVBXFLNTPT-KJFJCRTCSA-N
MW158.20 g/mol
LogP0.28
Rot. Bonds1

About (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol

(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol (PubChem CID 89257762) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol
PubChem CID89257762
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol
SMILESC=C1C[C@@H](O)[C@H](C)C(CO)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(10)6(2)8(4-9)11-5/h6-10H,1,3-4H2,2H3/t6-,7+,8?/m0/s1
InChIKeyDOTZPVBXFLNTPT-KJFJCRTCSA-N
XLogP0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol?
The IUPAC name of (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol (CID 89257762) is (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol.
What is the SMILES notation for (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol?
The canonical SMILES for (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol is C=C1C[C@@H](O)[C@H](C)C(CO)O1.
What is the InChIKey of (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol?
The InChIKey is DOTZPVBXFLNTPT-KJFJCRTCSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-7(10)6(2)8(4-9)11-5/h6-10H,1,3-4H2,2H3/t6-,7+,8?/m0/s1.
What are the key properties of (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol?
(3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol has a molecular weight of 158.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-(hydroxymethyl)-3-methyl-6-methylideneoxan-4-ol is sourced from PubChem (CID 89257762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).