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

C14H28O2 — CID 139606102

IUPAC1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol
SMILESC=C(C)CC(C)(C)CC(C)COCC(C)O
InChIInChI=1S/C14H28O2/c1-11(2)7-14(5,6)8-12(3)9-16-10-13(4)15/h12-13,15H,1,7-10H2,2-6H3
InChIKeyMFWRCEZSYKUPTL-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.40
Rot. Bonds8

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

1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol (PubChem CID 139606102) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol
PubChem CID139606102
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol
SMILESC=C(C)CC(C)(C)CC(C)COCC(C)O
InChIInChI=1S/C14H28O2/c1-11(2)7-14(5,6)8-12(3)9-16-10-13(4)15/h12-13,15H,1,7-10H2,2-6H3
InChIKeyMFWRCEZSYKUPTL-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.40
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

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
2-(5,5-Dimethyl-2-prop-1-en-2-ylcyclohexyl)oxyethanol
CID 122582289
2-[1-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)ethoxy]ethanol
CID 123608533
2-(3-Methyl-4-methylidenecyclohexyl)oxyethanol
CID 123792082
1-(2,4,4-Trimethylhept-6-enoxy)propan-2-ol
CID 139606101
1-(2,4,4-Trimethylhept-6-enoxy)butan-2-ol
CID 139606103
1-(2,4,4,6-Tetramethylhept-6-enoxy)butan-2-ol
CID 139606107
1-(2,4,4,6-Tetramethylhept-6-enoxy)hexan-2-ol
CID 139606108
[3-Ethyl-3-(2-methylprop-2-enyl)oxetan-2-yl]methanol
CID 141029004
3,5,6,6-Tetramethyl-4-methylideneheptane-1,2-diol
CID 141473326
1-(2-Ethylhexoxy)-4-methylpent-4-en-2-ol
CID 155280540

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol?
The IUPAC name of 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol (CID 139606102) is 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol?
The canonical SMILES for 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol is C=C(C)CC(C)(C)CC(C)COCC(C)O.
What is the InChIKey of 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol?
The InChIKey is MFWRCEZSYKUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)7-14(5,6)8-12(3)9-16-10-13(4)15/h12-13,15H,1,7-10H2,2-6H3.
What are the key properties of 1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol?
1-(2,4,4,6-tetramethylhept-6-enoxy)propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.40, 8 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)propan-2-ol is sourced from PubChem (CID 139606102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).