1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol

C15H30O2 — CID 139606107

IUPAC1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol
SMILESC=C(C)CC(C)(C)CC(C)COCC(O)CC
InChIInChI=1S/C15H30O2/c1-7-14(16)11-17-10-13(4)9-15(5,6)8-12(2)3/h13-14,16H,2,7-11H2,1,3-6H3
InChIKeyGZSIPWPDBXJGOI-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.79
Rot. Bonds9

About 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol

1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol (PubChem CID 139606107) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol
PubChem CID139606107
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol
SMILESC=C(C)CC(C)(C)CC(C)COCC(O)CC
InChIInChI=1S/C15H30O2/c1-7-14(16)11-17-10-13(4)9-15(5,6)8-12(2)3/h13-14,16H,2,7-11H2,1,3-6H3
InChIKeyGZSIPWPDBXJGOI-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5R)-5-methyl-2-(3-methylbut-3-enyl)-5-propyloxolan-3-ol
CID 16726133
(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-ol
CID 11401176
3,3,4-Trimethyl-1-(oxiran-2-yl)pent-4-en-1-ol
CID 9990168
2-Methyl-2-[1-(3-methylidenecyclohexyl)ethoxy]propan-1-ol
CID 89199529
(2R)-1-methoxy-4-methyloct-7-en-2-ol
CID 90389525
1-Methoxy-4-methyloct-7-en-2-ol
CID 90389631
3-(5,5-Dimethyl-2-prop-1-en-2-ylcyclohexyl)oxypropane-1,2-diol
CID 122582292
2-[1-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol
CID 123608533
1-(2,4,4-Trimethylhept-6-enoxy)propan-2-ol
CID 139606101
1-(2,4,4,6-Tetramethylhept-6-enoxy)propan-2-ol
CID 139606102
1-(2,4,4-Trimethylhept-6-enoxy)butan-2-ol
CID 139606103
1-(2,4,4-Trimethylhept-6-enoxy)hexan-2-ol
CID 139606105

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol?
The IUPAC name of 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol (CID 139606107) is 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol.
What is the SMILES notation for 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol?
The canonical SMILES for 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol is C=C(C)CC(C)(C)CC(C)COCC(O)CC.
What is the InChIKey of 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol?
The InChIKey is GZSIPWPDBXJGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-14(16)11-17-10-13(4)9-15(5,6)8-12(2)3/h13-14,16H,2,7-11H2,1,3-6H3.
What are the key properties of 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol?
1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol has a molecular weight of 242.40 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4,6-tetramethylhept-6-enoxy)butan-2-ol is sourced from PubChem (CID 139606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).