1-(dimethoxymethoxy)nonylcyclohexane

C18H36O3 — CID 151905093

IUPAC1-(dimethoxymethoxy)nonylcyclohexane
SMILESCCCCCCCCC(OC(OC)OC)C1CCCCC1
InChIInChI=1S/C18H36O3/c1-4-5-6-7-8-12-15-17(21-18(19-2)20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1-3H3
InChIKeySTOMCSWCWHBKMC-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.28
Rot. Bonds12

About 1-(dimethoxymethoxy)nonylcyclohexane

1-(dimethoxymethoxy)nonylcyclohexane (PubChem CID 151905093) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 1-(dimethoxymethoxy)nonylcyclohexane.

Molecular Properties

Compound Name1-(dimethoxymethoxy)nonylcyclohexane
PubChem CID151905093
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name1-(dimethoxymethoxy)nonylcyclohexane
SMILESCCCCCCCCC(OC(OC)OC)C1CCCCC1
InChIInChI=1S/C18H36O3/c1-4-5-6-7-8-12-15-17(21-18(19-2)20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1-3H3
InChIKeySTOMCSWCWHBKMC-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tris(1-cyclohexylhexadecyl) phosphate
CID 88626297
1-(dichloromethoxy)decylcyclopropane
CID 172859806
1-(cyclopentylmethoxy)nonylcyclopentane
CID 172556849
1-(cyclopentylmethoxy)octylcyclopentane
CID 156699626
1-cyclohexylheptylcyclohexane
CID 16404
hexadecan-8-ylcyclohexane
CID 91510029
1-cycloheptyldecylcycloheptane
CID 20559033
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
1-cyclohexyl-1-methoxydodecan-2-ol
CID 116756363
undecan-5-ylcyclohexane
CID 524419
(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
CID 101356312
1-cycloheptylheptan-1-amine
CID 65399314

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethoxy)nonylcyclohexane?
The IUPAC name of 1-(dimethoxymethoxy)nonylcyclohexane (CID 151905093) is 1-(dimethoxymethoxy)nonylcyclohexane.
What is the SMILES notation for 1-(dimethoxymethoxy)nonylcyclohexane?
The canonical SMILES for 1-(dimethoxymethoxy)nonylcyclohexane is CCCCCCCCC(OC(OC)OC)C1CCCCC1.
What is the InChIKey of 1-(dimethoxymethoxy)nonylcyclohexane?
The InChIKey is STOMCSWCWHBKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-4-5-6-7-8-12-15-17(21-18(19-2)20-3)16-13-10-9-11-14-16/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(dimethoxymethoxy)nonylcyclohexane?
1-(dimethoxymethoxy)nonylcyclohexane has a molecular weight of 300.48 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethoxy)nonylcyclohexane is sourced from PubChem (CID 151905093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).