2-(2-methylidenebutoxy)ethanol

C7H14O2 — CID 162704021

IUPAC2-(2-methylidenebutoxy)ethanol
SMILESC=C(CC)COCCO
InChIInChI=1S/C7H14O2/c1-3-7(2)6-9-5-4-8/h8H,2-6H2,1H3
InChIKeyAZNRWVLJKNYDKV-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds5

About 2-(2-methylidenebutoxy)ethanol

2-(2-methylidenebutoxy)ethanol (PubChem CID 162704021) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(2-methylidenebutoxy)ethanol.

Molecular Properties

Compound Name2-(2-methylidenebutoxy)ethanol
PubChem CID162704021
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(2-methylidenebutoxy)ethanol
SMILESC=C(CC)COCCO
InChIInChI=1S/C7H14O2/c1-3-7(2)6-9-5-4-8/h8H,2-6H2,1H3
InChIKeyAZNRWVLJKNYDKV-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-Methylallyloxy)ethanol
CID 13459383
Poly(oxy-1,2-ethanediyl), alpha-(3-methyl-3-buten-1-yl)-omega-hydroxy-
CID 59336377
2-(2-Methylbuta-2,3-dienoxy)ethanol
CID 13574393
2-[2-(2-Methylprop-2-enoxy)ethoxy]ethanol
CID 14250672
1-((2-Methylallyl)oxy)propan-2-ol
CID 19068472
2-[2-[2-(3-Methylbut-3-en-2-yloxy)ethoxy]ethoxy]ethanol
CID 19986594
2-(3-Methylbuta-1,3-dien-2-yloxy)ethanol
CID 58862969
2-[1-[2-(2-Ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol
CID 88520348
2-(2-Hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene
CID 88932814
2-[2-(3-Methylbut-3-en-2-yloxy)ethoxy]ethanol
CID 88932815
2-[(2R)-3-methylbut-3-en-2-yl]oxyethanol
CID 117802051
2-(3-Methylbuta-1,3-dien-2-yloxy)prop-2-en-1-ol
CID 123219588

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutoxy)ethanol?
The IUPAC name of 2-(2-methylidenebutoxy)ethanol (CID 162704021) is 2-(2-methylidenebutoxy)ethanol.
What is the SMILES notation for 2-(2-methylidenebutoxy)ethanol?
The canonical SMILES for 2-(2-methylidenebutoxy)ethanol is C=C(CC)COCCO.
What is the InChIKey of 2-(2-methylidenebutoxy)ethanol?
The InChIKey is AZNRWVLJKNYDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7(2)6-9-5-4-8/h8H,2-6H2,1H3.
What are the key properties of 2-(2-methylidenebutoxy)ethanol?
2-(2-methylidenebutoxy)ethanol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutoxy)ethanol is sourced from PubChem (CID 162704021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).