(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol

C12H20O3 — CID 130391080

IUPAC(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol
SMILESC=CCCC(=C)[C@H]1C[C@@H](O)C[C@@H](CO)O1
InChIInChI=1S/C12H20O3/c1-3-4-5-9(2)12-7-10(14)6-11(8-13)15-12/h3,10-14H,1-2,4-8H2/t10-,11-,12+/m0/s1
InChIKeyRADUDOHZLCQVQD-SDDRHHMPSA-N
MW212.29 g/mol
LogP1.41
Rot. Bonds5

About (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol

(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol (PubChem CID 130391080) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol
PubChem CID130391080
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol
SMILESC=CCCC(=C)[C@H]1C[C@@H](O)C[C@@H](CO)O1
InChIInChI=1S/C12H20O3/c1-3-4-5-9(2)12-7-10(14)6-11(8-13)15-12/h3,10-14H,1-2,4-8H2/t10-,11-,12+/m0/s1
InChIKeyRADUDOHZLCQVQD-SDDRHHMPSA-N
XLogP1.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
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 (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol (CID 130391080) is (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol is C=CCCC(=C)[C@H]1C[C@@H](O)C[C@@H](CO)O1.
What is the InChIKey of (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is RADUDOHZLCQVQD-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-5-9(2)12-7-10(14)6-11(8-13)15-12/h3,10-14H,1-2,4-8H2/t10-,11-,12+/m0/s1.
What are the key properties of (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol?
(2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 212.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-hexa-1,5-dien-2-yl-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 130391080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).