(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one

C16H28O4 — CID 10062439

IUPAC(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one
SMILESC=CCCCCCCCC1C(=O)O[C@@H](C)C1OCOC
InChIInChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-14-15(19-12-18-3)13(2)20-16(14)17/h4,13-15H,1,5-12H2,2-3H3/t13-,14?,15?/m0/s1
InChIKeyJNEPLYDKDXPJKI-NFOMZHRRSA-N
MW284.40 g/mol
LogP3.45
Rot. Bonds11

About (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one

(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one (PubChem CID 10062439) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one.

Molecular Properties

Compound Name(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one
PubChem CID10062439
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one
SMILESC=CCCCCCCCC1C(=O)O[C@@H](C)C1OCOC
InChIInChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-14-15(19-12-18-3)13(2)20-16(14)17/h4,13-15H,1,5-12H2,2-3H3/t13-,14?,15?/m0/s1
InChIKeyJNEPLYDKDXPJKI-NFOMZHRRSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R)-4-[(11Z)-hexadeca-11,15-dien-7,9-diynyl]-2-methyl-5-oxooxolan-3-yl] acetate
CID 145950626
[(2R,3R,4R)-4-[(11E)-hexadeca-11,15-dien-7,9-diynyl]-2-methyl-5-oxooxolan-3-yl] acetate
CID 145953288
[(2R,3R,4R)-2-methyl-4-[(13E)-octadeca-13,17-dien-9,11-diynyl]-5-oxooxolan-3-yl] acetate
CID 145954028
(3R,4R,5S)-3-dodec-11-enyl-4-hydroxy-5-methyloxolan-2-one
CID 163010343
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
methyl (6S)-3,7-dimethyl-6-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]oct-7-enoate
CID 10859501
Ethenyl 6-(1,3-dioxolan-2-yl)-4-oxo-2-prop-2-enylhexanoate
CID 11821601
ethyl (5R,6S)-5-acetyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-7-enoate
CID 10567107
ethyl (5S,6S)-5-acetyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-7-enoate
CID 10828926
[(2R,3R,4R)-4-[(Z)-hexacos-17-enyl]-2-methyl-5-oxooxolan-3-yl] acetate
CID 10885838
[(2S)-2-methyl-4-non-8-enyl-5-oxooxolan-3-yl] acetate
CID 10945925
methyl (2R,3R)-3-acetyloxy-2-prop-2-enyloctanoate
CID 12189228

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one?
The IUPAC name of (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one (CID 10062439) is (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one.
What is the SMILES notation for (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one?
The canonical SMILES for (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one is C=CCCCCCCCC1C(=O)O[C@@H](C)C1OCOC.
What is the InChIKey of (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one?
The InChIKey is JNEPLYDKDXPJKI-NFOMZHRRSA-N. The full InChI is InChI=1S/C16H28O4/c1-4-5-6-7-8-9-10-11-14-15(19-12-18-3)13(2)20-16(14)17/h4,13-15H,1,5-12H2,2-3H3/t13-,14?,15?/m0/s1.
What are the key properties of (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one?
(5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.45, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(methoxymethoxy)-5-methyl-3-non-8-enyloxolan-2-one is sourced from PubChem (CID 10062439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).