2-methyl-1-(oxan-4-yl)prop-2-en-1-ol

C9H16O2 — CID 79189800

IUPAC2-methyl-1-(oxan-4-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h8-10H,1,3-6H2,2H3
InChIKeySRHFIBHXJFAUHW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds2

About 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol

2-methyl-1-(oxan-4-yl)prop-2-en-1-ol (PubChem CID 79189800) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-yl)prop-2-en-1-ol
PubChem CID79189800
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-1-(oxan-4-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCOCC1
InChIInChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h8-10H,1,3-6H2,2H3
InChIKeySRHFIBHXJFAUHW-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
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

3-methyl-1-(oxan-4-yl)but-3-en-1-ol
CID 79178251
cyclopropyl(oxan-4-yl)methanol
CID 63936668
dimethylamino(oxan-4-yl)methanol
CID 116909646
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933
1-amino-2-(oxan-4-yl)propan-1-ol
CID 88974259
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658
oxan-4-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797718
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
1-(oxepan-4-yl)propan-1-ol
CID 79298601
2-ethyl-1-(oxan-4-yl)butane-1,2-diol
CID 103449502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol (CID 79189800) is 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol is C=C(C)C(O)C1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol?
The InChIKey is SRHFIBHXJFAUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9(10)8-3-5-11-6-4-8/h8-10H,1,3-6H2,2H3.
What are the key properties of 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol?
2-methyl-1-(oxan-4-yl)prop-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 79189800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).