trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one

C14H26O3 — CID 10377093

IUPACtrans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one
SMILESC[C@H]1CCCCCCCCC[C@H](O)CC(=O)O1
InChIInChI=1S/C14H26O3/c1-12-9-7-5-3-2-4-6-8-10-13(15)11-14(16)17-12/h12-13,15H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyGXQCDHYRCSSQBX-STQMWFEESA-N
MW242.36 g/mol
LogP3.19
Rot. Bonds

About trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one

trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one (PubChem CID 10377093) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one.

Molecular Properties

Compound Nametrans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one
PubChem CID10377093
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nametrans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one
SMILESC[C@H]1CCCCCCCCC[C@H](O)CC(=O)O1
InChIInChI=1S/C14H26O3/c1-12-9-7-5-3-2-4-6-8-10-13(15)11-14(16)17-12/h12-13,15H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyGXQCDHYRCSSQBX-STQMWFEESA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-8-methyloxocan-2-one
CID 78385790
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
5,12-dimethyl-oxacyclododecan-2-one
CID 162413653
6-methyloxan-2-one
CID 160564586
(3R,4S,14S)-4-hydroxy-3,14-dimethyl-oxacyclotetradecan-2-one
CID 10467617
10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
CID 74371640
cis-(10S,12R)-10-hydroxy-12-methyl-oxacyclododecane-2,5-dione
CID 24951303
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
(6Z)-14-methyl-1-oxacyclotetradec-6-en-2-one
CID 10857106
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621

Frequently Asked Questions

What is the IUPAC name of trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one?
The IUPAC name of trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one (CID 10377093) is trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one.
What is the SMILES notation for trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one?
The canonical SMILES for trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one is C[C@H]1CCCCCCCCC[C@H](O)CC(=O)O1.
What is the InChIKey of trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one?
The InChIKey is GXQCDHYRCSSQBX-STQMWFEESA-N. The full InChI is InChI=1S/C14H26O3/c1-12-9-7-5-3-2-4-6-8-10-13(15)11-14(16)17-12/h12-13,15H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one?
trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one has a molecular weight of 242.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4S,14S)-4-hydroxy-14-methyl-oxacyclotetradecan-2-one is sourced from PubChem (CID 10377093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).