1-decyl-1,2,2-trimethylcyclooctane

C21H42 — CID 150686045

IUPAC1-decyl-1,2,2-trimethylcyclooctane
SMILESCCCCCCCCCCC1(C)CCCCCCC1(C)C
InChIInChI=1S/C21H42/c1-5-6-7-8-9-10-11-15-18-21(4)19-16-13-12-14-17-20(21,2)3/h5-19H2,1-4H3
InChIKeyJIWOIUFVCLXNBL-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.90
Rot. Bonds9

About 1-decyl-1,2,2-trimethylcyclooctane

1-decyl-1,2,2-trimethylcyclooctane (PubChem CID 150686045) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 1-decyl-1,2,2-trimethylcyclooctane.

Molecular Properties

Compound Name1-decyl-1,2,2-trimethylcyclooctane
PubChem CID150686045
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name1-decyl-1,2,2-trimethylcyclooctane
SMILESCCCCCCCCCCC1(C)CCCCCCC1(C)C
InChIInChI=1S/C21H42/c1-5-6-7-8-9-10-11-15-18-21(4)19-16-13-12-14-17-20(21,2)3/h5-19H2,1-4H3
InChIKeyJIWOIUFVCLXNBL-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-butyl-1,2,2-trimethylcyclohexane
CID 160652291
1-methyl-1-undecylcyclohexane
CID 86137257
5-(1,2,2-trimethylcyclopentyl)pentan-1-ol
CID 67793892
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
1,1-dipentylcyclononane
CID 169026027
1,1-dioctylcyclopentane
CID 54295272
1-(1,2,2-trimethylcyclohexyl)octan-3-ol
CID 70289367
1-hexadecylcyclohexane-1-thiol
CID 165176793
1-chloro-1-hexylcyclohexane
CID 57072771
(1-hexylcyclohexyl)methanol
CID 66024993

Frequently Asked Questions

What is the IUPAC name of 1-decyl-1,2,2-trimethylcyclooctane?
The IUPAC name of 1-decyl-1,2,2-trimethylcyclooctane (CID 150686045) is 1-decyl-1,2,2-trimethylcyclooctane.
What is the SMILES notation for 1-decyl-1,2,2-trimethylcyclooctane?
The canonical SMILES for 1-decyl-1,2,2-trimethylcyclooctane is CCCCCCCCCCC1(C)CCCCCCC1(C)C.
What is the InChIKey of 1-decyl-1,2,2-trimethylcyclooctane?
The InChIKey is JIWOIUFVCLXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-5-6-7-8-9-10-11-15-18-21(4)19-16-13-12-14-17-20(21,2)3/h5-19H2,1-4H3.
What are the key properties of 1-decyl-1,2,2-trimethylcyclooctane?
1-decyl-1,2,2-trimethylcyclooctane has a molecular weight of 294.57 g/mol, XLogP of 7.90, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1,2,2-trimethylcyclooctane is sourced from PubChem (CID 150686045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).