cyclooctanol;oxolane

C12H24O2 — CID 66863084

IUPACcyclooctanol;oxolane
SMILESC1CCOC1.OC1CCCCCCC1
InChIInChI=1S/C8H16O.C4H8O/c9-8-6-4-2-1-3-5-7-8;1-2-4-5-3-1/h8-9H,1-7H2;1-4H2
InChIKeyAOOWFELWGPEJQU-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.89
Rot. Bonds

About cyclooctanol;oxolane

cyclooctanol;oxolane (PubChem CID 66863084) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is cyclooctanol;oxolane.

Molecular Properties

Compound Namecyclooctanol;oxolane
PubChem CID66863084
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namecyclooctanol;oxolane
SMILESC1CCOC1.OC1CCCCCCC1
InChIInChI=1S/C8H16O.C4H8O/c9-8-6-4-2-1-3-5-7-8;1-2-4-5-3-1/h8-9H,1-7H2;1-4H2
InChIKeyAOOWFELWGPEJQU-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexanol;iron
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tetrakis(cyclooctanol);zirconium
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CID 157040931
CID 157040931
cyclohexanol;methanol
CID 18353815
pentakis(cyclopentanol);hafnium
CID 142301948
cyclopentanol;hafnium
CID 150405183
cyclopentanol;dihydrochloride
CID 86599054
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CID 22011753
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083

Frequently Asked Questions

What is the IUPAC name of cyclooctanol;oxolane?
The IUPAC name of cyclooctanol;oxolane (CID 66863084) is cyclooctanol;oxolane.
What is the SMILES notation for cyclooctanol;oxolane?
The canonical SMILES for cyclooctanol;oxolane is C1CCOC1.OC1CCCCCCC1.
What is the InChIKey of cyclooctanol;oxolane?
The InChIKey is AOOWFELWGPEJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C4H8O/c9-8-6-4-2-1-3-5-7-8;1-2-4-5-3-1/h8-9H,1-7H2;1-4H2.
What are the key properties of cyclooctanol;oxolane?
cyclooctanol;oxolane has a molecular weight of 200.32 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctanol;oxolane is sourced from PubChem (CID 66863084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).