6-imino-8,8-dimethoxyoctan-2-ol

C10H21NO3 — CID 174351561

IUPAC6-imino-8,8-dimethoxyoctan-2-ol
SMILES[H]/N=C(\CCCC(C)O)CC(OC)OC
InChIInChI=1S/C10H21NO3/c1-8(12)5-4-6-9(11)7-10(13-2)14-3/h8,10-12H,4-7H2,1-3H3/b11-9+
InChIKeyRCGSOKVCDMGCJB-PKNBQFBNSA-N
MW203.28 g/mol
LogP1.57
Rot. Bonds8

About 6-imino-8,8-dimethoxyoctan-2-ol

6-imino-8,8-dimethoxyoctan-2-ol (PubChem CID 174351561) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-imino-8,8-dimethoxyoctan-2-ol.

Molecular Properties

Compound Name6-imino-8,8-dimethoxyoctan-2-ol
PubChem CID174351561
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name6-imino-8,8-dimethoxyoctan-2-ol
SMILES[H]/N=C(\CCCC(C)O)CC(OC)OC
InChIInChI=1S/C10H21NO3/c1-8(12)5-4-6-9(11)7-10(13-2)14-3/h8,10-12H,4-7H2,1-3H3/b11-9+
InChIKeyRCGSOKVCDMGCJB-PKNBQFBNSA-N
XLogP1.57
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-8,8-dimethoxyoctan-2-ol?
The IUPAC name of 6-imino-8,8-dimethoxyoctan-2-ol (CID 174351561) is 6-imino-8,8-dimethoxyoctan-2-ol.
What is the SMILES notation for 6-imino-8,8-dimethoxyoctan-2-ol?
The canonical SMILES for 6-imino-8,8-dimethoxyoctan-2-ol is [H]/N=C(\CCCC(C)O)CC(OC)OC.
What is the InChIKey of 6-imino-8,8-dimethoxyoctan-2-ol?
The InChIKey is RCGSOKVCDMGCJB-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(12)5-4-6-9(11)7-10(13-2)14-3/h8,10-12H,4-7H2,1-3H3/b11-9+.
What are the key properties of 6-imino-8,8-dimethoxyoctan-2-ol?
6-imino-8,8-dimethoxyoctan-2-ol has a molecular weight of 203.28 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-8,8-dimethoxyoctan-2-ol is sourced from PubChem (CID 174351561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).