2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol

C11H22O3 — CID 103184970

IUPAC2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)CCOCCCOC
InChIInChI=1S/C11H22O3/c1-4-11(2,10-12)6-9-14-8-5-7-13-3/h4,12H,1,5-10H2,2-3H3
InChIKeyWFDBPAZMSRHDIB-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.61
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol

2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol (PubChem CID 103184970) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
PubChem CID103184970
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)CCOCCCOC
InChIInChI=1S/C11H22O3/c1-4-11(2,10-12)6-9-14-8-5-7-13-3/h4,12H,1,5-10H2,2-3H3
InChIKeyWFDBPAZMSRHDIB-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.61
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-ethenyl-6-methoxy-2-methylhexan-1-ol
CID 102641801
2-(2-butoxyethyl)-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641672
2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
CID 103018143
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-[(4-bromophenyl)methoxy]ethyl]-2-methylbut-3-en-1-ol
CID 122228540
2-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
1-(2-ethenoxyethoxy)-3-methoxypropane
CID 103177352
2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
CID 103181524
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentan-1-ol
CID 103407415
2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
CID 170336565
6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol (CID 103184970) is 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol is C=CC(C)(CO)CCOCCCOC.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol?
The InChIKey is WFDBPAZMSRHDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-11(2,10-12)6-9-14-8-5-7-13-3/h4,12H,1,5-10H2,2-3H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol?
2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]-2-methylbut-3-en-1-ol is sourced from PubChem (CID 103184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).