2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol

C11H22O2 — CID 103018143

IUPAC2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
SMILESC=CC(C)(CO)CCC(C)(C)OC
InChIInChI=1S/C11H22O2/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6,12H,1,7-9H2,2-5H3
InChIKeyGFQIQCRZTFZFFA-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.38
Rot. Bonds6

About 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol

2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol (PubChem CID 103018143) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol.

Molecular Properties

Compound Name2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
PubChem CID103018143
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
SMILESC=CC(C)(CO)CCC(C)(C)OC
InChIInChI=1S/C11H22O2/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6,12H,1,7-9H2,2-5H3
InChIKeyGFQIQCRZTFZFFA-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.38
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

2-ethenyl-6-methoxy-2-methylhexan-1-ol
CID 102641801
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
CID 103184970
2-ethyl-2-(3-methoxy-3-methylbutyl)propane-1,3-diol
CID 103018825
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
2-[2-(3-bromophenoxy)ethyl]-2-methylbut-3-en-1-ol
CID 102641790
(3E)-7-methoxy-3,7-dimethylocta-1,3-diene
CID 88725055
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
7-methoxy-7-methyloct-1-en-4-ol
CID 103035568
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol?
The IUPAC name of 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol (CID 103018143) is 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol.
What is the SMILES notation for 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol?
The canonical SMILES for 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol is C=CC(C)(CO)CCC(C)(C)OC.
What is the InChIKey of 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol?
The InChIKey is GFQIQCRZTFZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-11(4,9-12)8-7-10(2,3)13-5/h6,12H,1,7-9H2,2-5H3.
What are the key properties of 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol?
2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol is sourced from PubChem (CID 103018143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).