(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol

C12H22O3 — CID 10536597

IUPAC(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-10(6-4-5-8-13)11-7-9-14-12(2,3)15-11/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+/t10-,11+/m0/s1
InChIKeyHWNWYYMGYFNEBN-BXXZLRJFSA-N
MW214.30 g/mol
LogP2.10
Rot. Bonds4

About (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol

(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol (PubChem CID 10536597) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol.

Molecular Properties

Compound Name(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol
PubChem CID10536597
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol
SMILESC[C@@H](C/C=C/CO)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C12H22O3/c1-10(6-4-5-8-13)11-7-9-14-12(2,3)15-11/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+/t10-,11+/m0/s1
InChIKeyHWNWYYMGYFNEBN-BXXZLRJFSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol?
The IUPAC name of (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol (CID 10536597) is (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol.
What is the SMILES notation for (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol?
The canonical SMILES for (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol is C[C@@H](C/C=C/CO)[C@H]1CCOC(C)(C)O1.
What is the InChIKey of (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol?
The InChIKey is HWNWYYMGYFNEBN-BXXZLRJFSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(6-4-5-8-13)11-7-9-14-12(2,3)15-11/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+/t10-,11+/m0/s1.
What are the key properties of (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol?
(E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-en-1-ol is sourced from PubChem (CID 10536597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).