[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol

C12H23NO2 — CID 114780014

IUPAC[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)5-6-13-7-11(8-14)15-12(3,4)9-13/h5,11,14H,6-9H2,1-4H3
InChIKeyZRHSUZMNNRCUPQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.42
Rot. Bonds3

About [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol

[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (PubChem CID 114780014) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
PubChem CID114780014
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
SMILESCC(C)=CCN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)5-6-13-7-11(8-14)15-12(3,4)9-13/h5,11,14H,6-9H2,1-4H3
InChIKeyZRHSUZMNNRCUPQ-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol (CID 114780014) is [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is CC(C)=CCN1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
The InChIKey is ZRHSUZMNNRCUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)5-6-13-7-11(8-14)15-12(3,4)9-13/h5,11,14H,6-9H2,1-4H3.
What are the key properties of [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114780014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).