7-ethenoxyheptan-3-ol

C9H18O2 — CID 175035685

IUPAC7-ethenoxyheptan-3-ol
SMILESC=COCCCCC(O)CC
InChIInChI=1S/C9H18O2/c1-3-9(10)7-5-6-8-11-4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyXLURMWJBMHXLRU-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.09
Rot. Bonds7

About 7-ethenoxyheptan-3-ol

7-ethenoxyheptan-3-ol (PubChem CID 175035685) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 7-ethenoxyheptan-3-ol.

Molecular Properties

Compound Name7-ethenoxyheptan-3-ol
PubChem CID175035685
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name7-ethenoxyheptan-3-ol
SMILESC=COCCCCC(O)CC
InChIInChI=1S/C9H18O2/c1-3-9(10)7-5-6-8-11-4-2/h4,9-10H,2-3,5-8H2,1H3
InChIKeyXLURMWJBMHXLRU-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,16-bis(ethenoxy)hexadecane
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CID 14647805
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CID 22245625
2-(6-ethenoxyhexan-2-yl)-2-(hydroxymethyl)propane-1,3-diol
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4-ethenoxybutan-1-ol;ethenoxyethane
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Frequently Asked Questions

What is the IUPAC name of 7-ethenoxyheptan-3-ol?
The IUPAC name of 7-ethenoxyheptan-3-ol (CID 175035685) is 7-ethenoxyheptan-3-ol.
What is the SMILES notation for 7-ethenoxyheptan-3-ol?
The canonical SMILES for 7-ethenoxyheptan-3-ol is C=COCCCCC(O)CC.
What is the InChIKey of 7-ethenoxyheptan-3-ol?
The InChIKey is XLURMWJBMHXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-9(10)7-5-6-8-11-4-2/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 7-ethenoxyheptan-3-ol?
7-ethenoxyheptan-3-ol has a molecular weight of 158.24 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenoxyheptan-3-ol is sourced from PubChem (CID 175035685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).