3-(cyclooctatetraenyl)propan-1-ol

C11H14O — CID 5370637

IUPAC3-(cyclooctatetraenyl)propan-1-ol
SMILESOCCCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H14O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-8,12H,6,9-10H2/b2-1-,3-1-,4-2-,5-3-,7-4-,8-5-,11-7+,11-8+
InChIKeyGGPXPRYQERYIRA-KCPCKZTJSA-N
MW162.23 g/mol
LogP2.37
Rot. Bonds3

About 3-(cyclooctatetraenyl)propan-1-ol

3-(cyclooctatetraenyl)propan-1-ol (PubChem CID 5370637) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-(cyclooctatetraenyl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclooctatetraenyl)propan-1-ol
PubChem CID5370637
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-(cyclooctatetraenyl)propan-1-ol
SMILESOCCCC1=C/C=C\C=C/C=C\1
InChIInChI=1S/C11H14O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-8,12H,6,9-10H2/b2-1-,3-1-,4-2-,5-3-,7-4-,8-5-,11-7+,11-8+
InChIKeyGGPXPRYQERYIRA-KCPCKZTJSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctatetraenyl)propan-1-ol?
The IUPAC name of 3-(cyclooctatetraenyl)propan-1-ol (CID 5370637) is 3-(cyclooctatetraenyl)propan-1-ol.
What is the SMILES notation for 3-(cyclooctatetraenyl)propan-1-ol?
The canonical SMILES for 3-(cyclooctatetraenyl)propan-1-ol is OCCCC1=C/C=C\C=C/C=C\1.
What is the InChIKey of 3-(cyclooctatetraenyl)propan-1-ol?
The InChIKey is GGPXPRYQERYIRA-KCPCKZTJSA-N. The full InChI is InChI=1S/C11H14O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-8,12H,6,9-10H2/b2-1-,3-1-,4-2-,5-3-,7-4-,8-5-,11-7+,11-8+.
What are the key properties of 3-(cyclooctatetraenyl)propan-1-ol?
3-(cyclooctatetraenyl)propan-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctatetraenyl)propan-1-ol is sourced from PubChem (CID 5370637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).