(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol

C10H21NO3 — CID 143695712

IUPAC(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol
SMILESCNC(O)(O)/C(O)=C/CCC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)7-5-6-8(12)10(13,14)11-4/h6,11-14H,5,7H2,1-4H3/b8-6-
InChIKeyUBUMJWPKAMYBCW-VURMDHGXSA-N
MW203.28 g/mol
LogP1.11
Rot. Bonds4

About (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol

(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol (PubChem CID 143695712) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol.

Molecular Properties

Compound Name(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol
PubChem CID143695712
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol
SMILESCNC(O)(O)/C(O)=C/CCC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-9(2,3)7-5-6-8(12)10(13,14)11-4/h6,11-14H,5,7H2,1-4H3/b8-6-
InChIKeyUBUMJWPKAMYBCW-VURMDHGXSA-N
XLogP1.11
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol?
The IUPAC name of (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol (CID 143695712) is (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol.
What is the SMILES notation for (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol?
The canonical SMILES for (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol is CNC(O)(O)/C(O)=C/CCC(C)(C)C.
What is the InChIKey of (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol?
The InChIKey is UBUMJWPKAMYBCW-VURMDHGXSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2,3)7-5-6-8(12)10(13,14)11-4/h6,11-14H,5,7H2,1-4H3/b8-6-.
What are the key properties of (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol?
(Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol has a molecular weight of 203.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-dimethyl-1-(methylamino)hept-2-ene-1,1,2-triol is sourced from PubChem (CID 143695712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).