[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol

C18H36O4 — CID 11023515

IUPAC[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO)CC[C@H]1OCOC
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-18-17(21-15-20-2)13-12-16(14-19)22-18/h16-19H,3-15H2,1-2H3/t16-,17+,18-/m0/s1
InChIKeyVGELXNMOYKOURQ-KSZLIROESA-N
MW316.48 g/mol
LogP4.05
Rot. Bonds13

About [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol

[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol (PubChem CID 11023515) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
PubChem CID11023515
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Name[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
SMILESCCCCCCCCCC[C@@H]1O[C@H](CO)CC[C@H]1OCOC
InChIInChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-18-17(21-15-20-2)13-12-16(14-19)22-18/h16-19H,3-15H2,1-2H3/t16-,17+,18-/m0/s1
InChIKeyVGELXNMOYKOURQ-KSZLIROESA-N
XLogP4.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
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'}

Analyze [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
(1R)-1-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]pent-4-en-1-ol
CID 11177810
[(2R)-2-hydroxy-2-[(2R,5R,6R)-5-(methoxymethoxy)-6-tetradecyloxan-2-yl]ethyl] 4-methylbenzenesulfonate
CID 11398825
[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolan-2-yl]methanol
CID 10709517
[(2R,3S,6R)-6-(2-oxobutyl)-2-pentyloxan-3-yl] acetate
CID 56927485
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
[(2R,3S)-3-pentyloxiran-2-yl]methanol
CID 11344086
(2S,3R)-2-(2-methoxyethyl)-3-octyloxirane
CID 71399049

Frequently Asked Questions

What is the IUPAC name of [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol (CID 11023515) is [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol is CCCCCCCCCC[C@@H]1O[C@H](CO)CC[C@H]1OCOC.
What is the InChIKey of [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol?
The InChIKey is VGELXNMOYKOURQ-KSZLIROESA-N. The full InChI is InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-18-17(21-15-20-2)13-12-16(14-19)22-18/h16-19H,3-15H2,1-2H3/t16-,17+,18-/m0/s1.
What are the key properties of [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol?
[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol has a molecular weight of 316.48 g/mol, XLogP of 4.05, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 11023515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).