(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol

C8H17NO2 — CID 135232133

IUPAC(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
SMILESC[C@H]1COCCN(C)C[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-7-6-11-4-3-9(2)5-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMZISNNOLHSODOK-YUMQZZPRSA-N
MW159.23 g/mol
LogP-0.05
Rot. Bonds

About (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol

(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol (PubChem CID 135232133) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol.

Molecular Properties

Compound Name(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
PubChem CID135232133
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol
SMILESC[C@H]1COCCN(C)C[C@@H]1O
InChIInChI=1S/C8H17NO2/c1-7-6-11-4-3-9(2)5-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMZISNNOLHSODOK-YUMQZZPRSA-N
XLogP-0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol?
The IUPAC name of (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol (CID 135232133) is (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol.
What is the SMILES notation for (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol?
The canonical SMILES for (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol is C[C@H]1COCCN(C)C[C@@H]1O.
What is the InChIKey of (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol?
The InChIKey is MZISNNOLHSODOK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7-6-11-4-3-9(2)5-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol?
(6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol has a molecular weight of 159.23 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S)-4,7-dimethyl-1,4-oxazocan-6-ol is sourced from PubChem (CID 135232133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).