ethane;ethene;2-(oxan-4-yl)propan-1-ol

C12H26O2 — CID 143139632

IUPACethane;ethene;2-(oxan-4-yl)propan-1-ol
SMILESC=C.CC.CC(CO)C1CCOCC1
InChIInChI=1S/C8H16O2.C2H6.C2H4/c1-7(6-9)8-2-4-10-5-3-8;2*1-2/h7-9H,2-6H2,1H3;1-2H3;1-2H2
InChIKeyQGNUJEIIOQFULW-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.87
Rot. Bonds2

About ethane;ethene;2-(oxan-4-yl)propan-1-ol

ethane;ethene;2-(oxan-4-yl)propan-1-ol (PubChem CID 143139632) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;ethene;2-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Nameethane;ethene;2-(oxan-4-yl)propan-1-ol
PubChem CID143139632
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Nameethane;ethene;2-(oxan-4-yl)propan-1-ol
SMILESC=C.CC.CC(CO)C1CCOCC1
InChIInChI=1S/C8H16O2.C2H6.C2H4/c1-7(6-9)8-2-4-10-5-3-8;2*1-2/h7-9H,2-6H2,1H3;1-2H3;1-2H2
InChIKeyQGNUJEIIOQFULW-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.87
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-2-(oxan-4-yl)butan-1-ol
CID 84065172
2-(Oxan-4-yl)propan-1-ol
CID 67077684
2-(Oxan-4-yl)butan-1-ol
CID 84064550
5-Ethenoxy-3-methylpentan-1-ol
CID 85937849
5-(2,3-Dimethylpentoxy)-2,4-dimethylpentan-1-ol
CID 87926653
2-(Oxan-4-yl)propane-1,3-diol
CID 117239470
2-(3-Ethyloxan-4-yl)ethanol
CID 124087376
(2S)-2-(Oxan-4-yl)propan-1-ol
CID 129379798
Ethane;ethene;methanol;4-methyloxane
CID 143101227
Ethane;2-(oxan-4-yl)propan-1-ol
CID 143709900
(4-Methyloxan-3-yl)methanol
CID 144477564
Ethane;2-(oxan-4-yl)ethanol
CID 145704506

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-(oxan-4-yl)propan-1-ol?
The IUPAC name of ethane;ethene;2-(oxan-4-yl)propan-1-ol (CID 143139632) is ethane;ethene;2-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for ethane;ethene;2-(oxan-4-yl)propan-1-ol?
The canonical SMILES for ethane;ethene;2-(oxan-4-yl)propan-1-ol is C=C.CC.CC(CO)C1CCOCC1.
What is the InChIKey of ethane;ethene;2-(oxan-4-yl)propan-1-ol?
The InChIKey is QGNUJEIIOQFULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6.C2H4/c1-7(6-9)8-2-4-10-5-3-8;2*1-2/h7-9H,2-6H2,1H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-(oxan-4-yl)propan-1-ol?
ethane;ethene;2-(oxan-4-yl)propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 143139632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).