2-(1,2,2-trimethylcyclooctyl)oxocane

C18H34O — CID 174920418

IUPAC2-(1,2,2-trimethylcyclooctyl)oxocane
SMILESCC1(C)CCCCCCC1(C)C1CCCCCCO1
InChIInChI=1S/C18H34O/c1-17(2)13-9-5-6-10-14-18(17,3)16-12-8-4-7-11-15-19-16/h16H,4-15H2,1-3H3
InChIKeyWLXDLYRTJSEHIP-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.72
Rot. Bonds1

About 2-(1,2,2-trimethylcyclooctyl)oxocane

2-(1,2,2-trimethylcyclooctyl)oxocane (PubChem CID 174920418) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(1,2,2-trimethylcyclooctyl)oxocane.

Molecular Properties

Compound Name2-(1,2,2-trimethylcyclooctyl)oxocane
PubChem CID174920418
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name2-(1,2,2-trimethylcyclooctyl)oxocane
SMILESCC1(C)CCCCCCC1(C)C1CCCCCCO1
InChIInChI=1S/C18H34O/c1-17(2)13-9-5-6-10-14-18(17,3)16-12-8-4-7-11-15-19-16/h16H,4-15H2,1-3H3
InChIKeyWLXDLYRTJSEHIP-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(cyclopenten-1-yl)-1,2,3,3-tetramethylcyclooctyl]oxocane
CID 175468869
2-(1-methylcyclohexyl)oxolane
CID 23594551
2-(1,2-dimethylcyclopropyl)oxane
CID 57035000
1-(oxan-2-yl)cyclopropan-1-ol
CID 54404305
2-methyl-2-(oxan-2-yl)pyrrolidine
CID 105434283
2-[1-(chloromethyl)cyclobutyl]oxane
CID 165443357
2-methyl-1-(oxan-2-yl)cyclopropan-1-amine
CID 84650279
2,4-dimethyl-2-(oxan-2-yl)-1,3-oxazolidine
CID 117227926
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
(4aS,9aR)-4a-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrano[3,2-b]oxepin-2-one
CID 10976158
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
2-(bromomethyl)-2-(oxolan-2-yl)oxolane
CID 165443348

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trimethylcyclooctyl)oxocane?
The IUPAC name of 2-(1,2,2-trimethylcyclooctyl)oxocane (CID 174920418) is 2-(1,2,2-trimethylcyclooctyl)oxocane.
What is the SMILES notation for 2-(1,2,2-trimethylcyclooctyl)oxocane?
The canonical SMILES for 2-(1,2,2-trimethylcyclooctyl)oxocane is CC1(C)CCCCCCC1(C)C1CCCCCCO1.
What is the InChIKey of 2-(1,2,2-trimethylcyclooctyl)oxocane?
The InChIKey is WLXDLYRTJSEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-17(2)13-9-5-6-10-14-18(17,3)16-12-8-4-7-11-15-19-16/h16H,4-15H2,1-3H3.
What are the key properties of 2-(1,2,2-trimethylcyclooctyl)oxocane?
2-(1,2,2-trimethylcyclooctyl)oxocane has a molecular weight of 266.47 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylcyclooctyl)oxocane is sourced from PubChem (CID 174920418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).