2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol

C12H24O3 — CID 170336565

IUPAC2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)OCCCCCCOC
InChIInChI=1S/C12H24O3/c1-4-12(2,11-13)15-10-8-6-5-7-9-14-3/h4,13H,1,5-11H2,2-3H3
InChIKeyKELPKPRPODWFSG-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.15
Rot. Bonds10

About 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol

2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol (PubChem CID 170336565) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
PubChem CID170336565
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)OCCCCCCOC
InChIInChI=1S/C12H24O3/c1-4-12(2,11-13)15-10-8-6-5-7-9-14-3/h4,13H,1,5-11H2,2-3H3
InChIKeyKELPKPRPODWFSG-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-pent-4-enoxybut-3-en-1-ol
CID 20697432
2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699
2-ethenyl-6-methoxy-2-methylhexan-1-ol
CID 102641801
3-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]oxypropanenitrile
CID 100946655
2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
CID 103184970
6-(8-hydroxy-3-methyloct-1-en-3-yl)oxy-6-methyloct-7-en-1-ol
CID 169099356
2-(3-methoxypropoxy)-2-methylpropane
CID 13445097
3-(4-methoxybutylamino)-2,2-dimethylpropan-1-ol
CID 81410944
[1-hydroxy-1-(3-methoxypropoxy)-2,2-dimethylpropyl] prop-2-enoate
CID 141177107
(1-hydroxy-2-methylbut-3-en-2-yl)oxy nitrate
CID 177417708
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol?
The IUPAC name of 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol (CID 170336565) is 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol is C=CC(C)(CO)OCCCCCCOC.
What is the InChIKey of 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol?
The InChIKey is KELPKPRPODWFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-12(2,11-13)15-10-8-6-5-7-9-14-3/h4,13H,1,5-11H2,2-3H3.
What are the key properties of 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol?
2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 170336565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).