(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol

C13H24O2 — CID 89190528

IUPAC(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol
SMILESC=C1C[C@H](O)CC(CCC(CC)CC)O1
InChIInChI=1S/C13H24O2/c1-4-11(5-2)6-7-13-9-12(14)8-10(3)15-13/h11-14H,3-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyMMAITAODOASPJG-UEWDXFNNSA-N
MW212.33 g/mol
LogP3.26
Rot. Bonds5

About (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol

(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol (PubChem CID 89190528) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol.

Molecular Properties

Compound Name(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol
PubChem CID89190528
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol
SMILESC=C1C[C@H](O)CC(CCC(CC)CC)O1
InChIInChI=1S/C13H24O2/c1-4-11(5-2)6-7-13-9-12(14)8-10(3)15-13/h11-14H,3-9H2,1-2H3/t12-,13?/m0/s1
InChIKeyMMAITAODOASPJG-UEWDXFNNSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol?
The IUPAC name of (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol (CID 89190528) is (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol.
What is the SMILES notation for (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol?
The canonical SMILES for (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol is C=C1C[C@H](O)CC(CCC(CC)CC)O1.
What is the InChIKey of (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol?
The InChIKey is MMAITAODOASPJG-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-11(5-2)6-7-13-9-12(14)8-10(3)15-13/h11-14H,3-9H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol?
(4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol has a molecular weight of 212.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-ethylpentyl)-6-methylideneoxan-4-ol is sourced from PubChem (CID 89190528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).