(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol

C15H26O2 — CID 153349112

IUPAC(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol
SMILESC=C[C@@]1(C)CC[C@H](O)[C@@](C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15+/m0/s1
InChIKeyQHQOBRMEKGKJNF-SOUVJXGZSA-N
MW238.37 g/mol
LogP3.61
Rot. Bonds4

About (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol

(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol (PubChem CID 153349112) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol
PubChem CID153349112
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol
SMILESC=C[C@@]1(C)CC[C@H](O)[C@@](C)(CCC=C(C)C)O1
InChIInChI=1S/C15H26O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15+/m0/s1
InChIKeyQHQOBRMEKGKJNF-SOUVJXGZSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol?
The IUPAC name of (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol (CID 153349112) is (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol?
The canonical SMILES for (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol is C=C[C@@]1(C)CC[C@H](O)[C@@](C)(CCC=C(C)C)O1.
What is the InChIKey of (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol?
The InChIKey is QHQOBRMEKGKJNF-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-14(4)11-9-13(16)15(5,17-14)10-7-8-12(2)3/h6,8,13,16H,1,7,9-11H2,2-5H3/t13-,14-,15+/m0/s1.
What are the key properties of (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol?
(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol has a molecular weight of 238.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol is sourced from PubChem (CID 153349112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).