1,1-dimethoxy-2-octylcyclododecane

C22H44O2 — CID 134883102

IUPAC1,1-dimethoxy-2-octylcyclododecane
SMILESCCCCCCCCC1CCCCCCCCCCC1(OC)OC
InChIInChI=1S/C22H44O2/c1-4-5-6-7-12-15-18-21-19-16-13-10-8-9-11-14-17-20-22(21,23-2)24-3/h21H,4-20H2,1-3H3
InChIKeySCQFJNXDEXIXEA-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.26
Rot. Bonds9

About 1,1-dimethoxy-2-octylcyclododecane

1,1-dimethoxy-2-octylcyclododecane (PubChem CID 134883102) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 1,1-dimethoxy-2-octylcyclododecane.

Molecular Properties

Compound Name1,1-dimethoxy-2-octylcyclododecane
PubChem CID134883102
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name1,1-dimethoxy-2-octylcyclododecane
SMILESCCCCCCCCC1CCCCCCCCCCC1(OC)OC
InChIInChI=1S/C22H44O2/c1-4-5-6-7-12-15-18-21-19-16-13-10-8-9-11-14-17-20-22(21,23-2)24-3/h21H,4-20H2,1-3H3
InChIKeySCQFJNXDEXIXEA-UHFFFAOYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-1,1-dimethoxycyclobutane
CID 11412991
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
3-(2,2-dimethoxycyclohexyl)propan-1-ol
CID 10352822
4-octylspiro[4.5]decane
CID 139968258
2-butyl-1,1-bis(tert-butylperoxy)cyclohexane
CID 87794362
5-hexadecyl-2-oxaspiro[3.5]nonane-1,3-dione
CID 54188835
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
2-butyl-1-methyl-1-methylsulfanylcyclohexane
CID 139397086
1,1-dimethyl-2-octylcyclopropane
CID 15329257
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-octylcyclododecane?
The IUPAC name of 1,1-dimethoxy-2-octylcyclododecane (CID 134883102) is 1,1-dimethoxy-2-octylcyclododecane.
What is the SMILES notation for 1,1-dimethoxy-2-octylcyclododecane?
The canonical SMILES for 1,1-dimethoxy-2-octylcyclododecane is CCCCCCCCC1CCCCCCCCCCC1(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-octylcyclododecane?
The InChIKey is SCQFJNXDEXIXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-4-5-6-7-12-15-18-21-19-16-13-10-8-9-11-14-17-20-22(21,23-2)24-3/h21H,4-20H2,1-3H3.
What are the key properties of 1,1-dimethoxy-2-octylcyclododecane?
1,1-dimethoxy-2-octylcyclododecane has a molecular weight of 340.59 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-octylcyclododecane is sourced from PubChem (CID 134883102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).