1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile

C14H23NO2 — CID 80603929

IUPAC1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(C(O)C2CCOC2)CCCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-14(7-4-2-1-3-5-8-14)13(16)12-6-9-17-10-12/h12-13,16H,1-10H2
InChIKeyNGENOLVDFWANME-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.64
Rot. Bonds2

About 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile

1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile (PubChem CID 80603929) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
PubChem CID80603929
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile
SMILESN#CC1(C(O)C2CCOC2)CCCCCCC1
InChIInChI=1S/C14H23NO2/c15-11-14(7-4-2-1-3-5-8-14)13(16)12-6-9-17-10-12/h12-13,16H,1-10H2
InChIKeyNGENOLVDFWANME-UHFFFAOYSA-N
XLogP2.64
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy(oxolan-3-yl)methyl]cycloheptane-1-carbonitrile
CID 79136550
1-[hydroxy(oxan-4-yl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 79132465
4-[cyclopropyl(hydroxy)methyl]oxane-4-carbonitrile
CID 79132653
1-[cyclopentyl(hydroxy)methyl]cyclobutane-1-carbonitrile
CID 79132459
3-[cyclopropyl(hydroxy)methyl]oxane-3-carbonitrile
CID 103715793
1-[cyclohex-3-en-1-yl(hydroxy)methyl]cyclooctane-1-carbonitrile
CID 80604101
1-[hydroxy(oxolan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79136549
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745
1-[hydroxy(oxan-3-yl)methyl]cyclopentan-1-ol
CID 107136247
1-[hydroxy(oxolan-3-yl)methyl]-2,3-dihydroindene-1-carbonitrile
CID 79136458
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
4-tert-butyl-1-[cyclohexyl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79137065

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile?
The IUPAC name of 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile (CID 80603929) is 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile is N#CC1(C(O)C2CCOC2)CCCCCCC1.
What is the InChIKey of 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile?
The InChIKey is NGENOLVDFWANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c15-11-14(7-4-2-1-3-5-8-14)13(16)12-6-9-17-10-12/h12-13,16H,1-10H2.
What are the key properties of 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile?
1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile has a molecular weight of 237.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(oxolan-3-yl)methyl]cyclooctane-1-carbonitrile is sourced from PubChem (CID 80603929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).