(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol

C13H28O5 — CID 72737093

IUPAC(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
SMILESCC[C@@H](OCOC)[C@@H](CCCC(C)O)OCOC
InChIInChI=1S/C13H28O5/c1-5-12(17-9-15-3)13(18-10-16-4)8-6-7-11(2)14/h11-14H,5-10H2,1-4H3/t11?,12-,13-/m1/s1
InChIKeyYGTVOLXDFIZIQO-VFRRUGBOSA-N
MW264.36 g/mol
LogP1.93
Rot. Bonds12

About (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol

(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol (PubChem CID 72737093) has the molecular formula C13H28O5 and a molecular weight of 264.36 g/mol. Its IUPAC name is (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol.

Molecular Properties

Compound Name(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
PubChem CID72737093
Molecular FormulaC13H28O5
Molecular Weight264.36 g/mol
Exact Mass264.19
IUPAC Name(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
SMILESCC[C@@H](OCOC)[C@@H](CCCC(C)O)OCOC
InChIInChI=1S/C13H28O5/c1-5-12(17-9-15-3)13(18-10-16-4)8-6-7-11(2)14/h11-14H,5-10H2,1-4H3/t11?,12-,13-/m1/s1
InChIKeyYGTVOLXDFIZIQO-VFRRUGBOSA-N
XLogP1.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethoxy)-2-methylpentane
CID 21050072
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
(2R)-2-(methoxymethoxy)butane-1,3-diol
CID 87662516
methane;7-methoxyheptan-2-ol
CID 158258066
5-pentan-3-yloxypentan-2-ol
CID 175260271
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11832053
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
2-(methoxymethoxy)nonane
CID 13203850
(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
CID 15416757
2-(methoxymethoxy)-3-methylpentane
CID 54188035
(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
CID 71479585

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol?
The IUPAC name of (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol (CID 72737093) is (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol.
What is the SMILES notation for (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol?
The canonical SMILES for (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol is CC[C@@H](OCOC)[C@@H](CCCC(C)O)OCOC.
What is the InChIKey of (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol?
The InChIKey is YGTVOLXDFIZIQO-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H28O5/c1-5-12(17-9-15-3)13(18-10-16-4)8-6-7-11(2)14/h11-14H,5-10H2,1-4H3/t11?,12-,13-/m1/s1.
What are the key properties of (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol?
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol has a molecular weight of 264.36 g/mol, XLogP of 1.93, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol is sourced from PubChem (CID 72737093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).