(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol

C18H38O6 — CID 71479585

IUPAC(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
SMILESCCCCCCCCC[C@H](O)C[C@@H](OCOC)[C@@H](CO)OCOC
InChIInChI=1S/C18H38O6/c1-4-5-6-7-8-9-10-11-16(20)12-17(23-14-21-2)18(13-19)24-15-22-3/h16-20H,4-15H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyIGKINZXKHONBNF-RCCFBDPRSA-N
MW350.50 g/mol
LogP2.85
Rot. Bonds18

About (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol

(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol (PubChem CID 71479585) has the molecular formula C18H38O6 and a molecular weight of 350.50 g/mol. Its IUPAC name is (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
PubChem CID71479585
Molecular FormulaC18H38O6
Molecular Weight350.50 g/mol
Exact Mass350.27
IUPAC Name(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
SMILESCCCCCCCCC[C@H](O)C[C@@H](OCOC)[C@@H](CO)OCOC
InChIInChI=1S/C18H38O6/c1-4-5-6-7-8-9-10-11-16(20)12-17(23-14-21-2)18(13-19)24-15-22-3/h16-20H,4-15H2,1-3H3/t16-,17+,18+/m0/s1
InChIKeyIGKINZXKHONBNF-RCCFBDPRSA-N
XLogP2.85
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
hentriacontane-14,16-diol
CID 87514654
(6S,8S)-heptacosane-6,8-diol
CID 10693038
(2R)-1-(methoxymethoxy)hexadecan-2-ol
CID 10518499
triacontane-1,2-diol
CID 19770548
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol?
The IUPAC name of (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol (CID 71479585) is (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol.
What is the SMILES notation for (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol?
The canonical SMILES for (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol is CCCCCCCCC[C@H](O)C[C@@H](OCOC)[C@@H](CO)OCOC.
What is the InChIKey of (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol?
The InChIKey is IGKINZXKHONBNF-RCCFBDPRSA-N. The full InChI is InChI=1S/C18H38O6/c1-4-5-6-7-8-9-10-11-16(20)12-17(23-14-21-2)18(13-19)24-15-22-3/h16-20H,4-15H2,1-3H3/t16-,17+,18+/m0/s1.
What are the key properties of (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol?
(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol has a molecular weight of 350.50 g/mol, XLogP of 2.85, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol is sourced from PubChem (CID 71479585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).