(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol

C10H16O2 — CID 59899354

IUPAC(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
SMILESCC1=CCOC(/C=C/[C@@H](C)O)C1
InChIInChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/b4-3+/t9-,10?/m1/s1
InChIKeyBCJSNGSZNHJDDW-XKOMJLFFSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds2

About (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol

(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol (PubChem CID 59899354) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
PubChem CID59899354
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol
SMILESCC1=CCOC(/C=C/[C@@H](C)O)C1
InChIInChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/b4-3+/t9-,10?/m1/s1
InChIKeyBCJSNGSZNHJDDW-XKOMJLFFSA-N
XLogP1.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
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 (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The IUPAC name of (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol (CID 59899354) is (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol.
What is the SMILES notation for (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The canonical SMILES for (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol is CC1=CCOC(/C=C/[C@@H](C)O)C1.
What is the InChIKey of (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
The InChIKey is BCJSNGSZNHJDDW-XKOMJLFFSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-5-6-12-10(7-8)4-3-9(2)11/h3-5,9-11H,6-7H2,1-2H3/b4-3+/t9-,10?/m1/s1.
What are the key properties of (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol?
(E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-(4-methyl-3,6-dihydro-2H-pyran-2-yl)but-3-en-2-ol is sourced from PubChem (CID 59899354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).