(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one

C19H32O3 — CID 102396306

IUPAC(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCCCCCCCCCC[C@@H]1CC(O)OC2=C1C(=O)CCC2
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-11-15-14-18(21)22-17-13-10-12-16(20)19(15)17/h15,18,21H,2-14H2,1H3/t15-,18?/m1/s1
InChIKeyOCOLMBHPQQAKFY-NNJIEVJOSA-N
MW308.46 g/mol
LogP4.88
Rot. Bonds9

About (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one

(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one (PubChem CID 102396306) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one.

Molecular Properties

Compound Name(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one
PubChem CID102396306
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one
SMILESCCCCCCCCCC[C@@H]1CC(O)OC2=C1C(=O)CCC2
InChIInChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-11-15-14-18(21)22-17-13-10-12-16(20)19(15)17/h15,18,21H,2-14H2,1H3/t15-,18?/m1/s1
InChIKeyOCOLMBHPQQAKFY-NNJIEVJOSA-N
XLogP4.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one?
The IUPAC name of (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one (CID 102396306) is (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one.
What is the SMILES notation for (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one?
The canonical SMILES for (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one is CCCCCCCCCC[C@@H]1CC(O)OC2=C1C(=O)CCC2.
What is the InChIKey of (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one?
The InChIKey is OCOLMBHPQQAKFY-NNJIEVJOSA-N. The full InChI is InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-11-15-14-18(21)22-17-13-10-12-16(20)19(15)17/h15,18,21H,2-14H2,1H3/t15-,18?/m1/s1.
What are the key properties of (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one?
(4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one has a molecular weight of 308.46 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-decyl-2-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one is sourced from PubChem (CID 102396306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).