1-(2-methylpropoxy)ethenol

C6H12O2 — CID 23557813

IUPAC1-(2-methylpropoxy)ethenol
SMILESC=C(O)OCC(C)C
InChIInChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5,7H,3-4H2,1-2H3
InChIKeyNULWFABAABHWKT-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-methylpropoxy)ethenol

1-(2-methylpropoxy)ethenol (PubChem CID 23557813) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(2-methylpropoxy)ethenol.

Molecular Properties

Compound Name1-(2-methylpropoxy)ethenol
PubChem CID23557813
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(2-methylpropoxy)ethenol
SMILESC=C(O)OCC(C)C
InChIInChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5,7H,3-4H2,1-2H3
InChIKeyNULWFABAABHWKT-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(2-methylpropoxy)but-1-ene
CID 122225376
(E)-1-(2-methylpropoxy)prop-1-en-1-ol
CID 100981255
2-methylpropyl 3-methyl-2-methylidenebutanoate
CID 139998385
2-methylpropyl 3-methyl-2-methylidenepentanoate
CID 87812069
acetic acid;2-methylpropyl carbonochloridate
CID 90713933
2-methylpropyl 4-hydroxy-2-methylidenebutanoate
CID 175422489
1-(2-methylpropoxy)ethenylcyclohexane
CID 160690403
CID 136863386
CID 136863386
2-methylpropyl acetate;hydrate
CID 86585368
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl 3-hydroxy-2-methylidenepentanoate
CID 10012664
2-methylpropyl 2,5-dimethylhex-5-enoate
CID 162502138

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)ethenol?
The IUPAC name of 1-(2-methylpropoxy)ethenol (CID 23557813) is 1-(2-methylpropoxy)ethenol.
What is the SMILES notation for 1-(2-methylpropoxy)ethenol?
The canonical SMILES for 1-(2-methylpropoxy)ethenol is C=C(O)OCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)ethenol?
The InChIKey is NULWFABAABHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)ethenol?
1-(2-methylpropoxy)ethenol has a molecular weight of 116.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)ethenol is sourced from PubChem (CID 23557813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).