(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one

C15H28O3 — CID 10467617

IUPAC(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one
SMILESC[C@H]1CCCCCCCCC[C@H](O)[C@@H](C)C(=O)O1
InChIInChI=1S/C15H28O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-14,16H,3-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyMUYMXLCTGOQDTR-MJBXVCDLSA-N
MW256.39 g/mol
LogP3.44
Rot. Bonds

About (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one

(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one (PubChem CID 10467617) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Name(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one
PubChem CID10467617
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one
SMILESC[C@H]1CCCCCCCCC[C@H](O)[C@@H](C)C(=O)O1
InChIInChI=1S/C15H28O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-14,16H,3-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyMUYMXLCTGOQDTR-MJBXVCDLSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one?
The IUPAC name of (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one (CID 10467617) is (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one.
What is the SMILES notation for (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one?
The canonical SMILES for (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one is C[C@H]1CCCCCCCCC[C@H](O)[C@@H](C)C(=O)O1.
What is the InChIKey of (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one?
The InChIKey is MUYMXLCTGOQDTR-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H28O3/c1-12-10-8-6-4-3-5-7-9-11-14(16)13(2)15(17)18-12/h12-14,16H,3-11H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one?
(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one has a molecular weight of 256.39 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 10467617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).