(E)-1-(2-methylpropoxy)prop-1-en-1-ol

C7H14O2 — CID 100981255

IUPAC(E)-1-(2-methylpropoxy)prop-1-en-1-ol
SMILESC/C=C(\O)OCC(C)C
InChIInChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4+
InChIKeyBPLDKLHLKNEZRF-QPJJXVBHSA-N
MW130.19 g/mol
LogP2.08
Rot. Bonds3

About (E)-1-(2-methylpropoxy)prop-1-en-1-ol

(E)-1-(2-methylpropoxy)prop-1-en-1-ol (PubChem CID 100981255) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-(2-methylpropoxy)prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-methylpropoxy)prop-1-en-1-ol
PubChem CID100981255
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-1-(2-methylpropoxy)prop-1-en-1-ol
SMILESC/C=C(\O)OCC(C)C
InChIInChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4+
InChIKeyBPLDKLHLKNEZRF-QPJJXVBHSA-N
XLogP2.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.08
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

1-(2-methylpropoxy)ethenol
CID 23557813
bis(2-methylpropyl) butanedioate;prop-1-ene
CID 159366466
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
acetic acid;2-methylpropyl carbonochloridate
CID 90713933
2-methylpropyl 2-tert-butylbut-2-enoate
CID 174703085
2-methylpropyl 2-methylhex-4-enoate
CID 141352249
(E)-2-(2-methylpropoxy)pent-2-enoic acid
CID 87789541
CID 136863386
CID 136863386
2-methylpropyl acetate;hydrate
CID 86585368
formic acid;2-methylpropyl carbonochloridate
CID 160930750
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl 2-methylpenta-2,3-dienoate
CID 174631316

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methylpropoxy)prop-1-en-1-ol?
The IUPAC name of (E)-1-(2-methylpropoxy)prop-1-en-1-ol (CID 100981255) is (E)-1-(2-methylpropoxy)prop-1-en-1-ol.
What is the SMILES notation for (E)-1-(2-methylpropoxy)prop-1-en-1-ol?
The canonical SMILES for (E)-1-(2-methylpropoxy)prop-1-en-1-ol is C/C=C(\O)OCC(C)C.
What is the InChIKey of (E)-1-(2-methylpropoxy)prop-1-en-1-ol?
The InChIKey is BPLDKLHLKNEZRF-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h4,6,8H,5H2,1-3H3/b7-4+.
What are the key properties of (E)-1-(2-methylpropoxy)prop-1-en-1-ol?
(E)-1-(2-methylpropoxy)prop-1-en-1-ol has a molecular weight of 130.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methylpropoxy)prop-1-en-1-ol is sourced from PubChem (CID 100981255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).