1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane

C15H33InO — CID 168836529

IUPAC1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane
SMILESCOCCC1C(C)C(C)C(C)C1C.C[In](C)C
InChIInChI=1S/C12H24O.3CH3.In/c1-8-9(2)11(4)12(10(8)3)6-7-13-5;;;;/h8-12H,6-7H2,1-5H3;3*1H3;
InChIKeyCIXIUNPMWNMNOW-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.57
Rot. Bonds3

About 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane

1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane (PubChem CID 168836529) has the molecular formula C15H33InO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane
PubChem CID168836529
Molecular FormulaC15H33InO
Molecular Weight344.25 g/mol
Exact Mass344.16
IUPAC Name1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane
SMILESCOCCC1C(C)C(C)C(C)C1C.C[In](C)C
InChIInChI=1S/C12H24O.3CH3.In/c1-8-9(2)11(4)12(10(8)3)6-7-13-5;;;;/h8-12H,6-7H2,1-5H3;3*1H3;
InChIKeyCIXIUNPMWNMNOW-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-1-(methoxymethyl)-2,3,4-trimethylcyclobutane
CID 158086549
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
2,4-bis(2-methoxyethyl)cyclobutane-1,3-diolate;bis(N,N-dimethylmethanamine);ethane;methane
CID 159008192
3-(2-methoxyethyl)-2-methyloxolane
CID 134557214
(4R)-2-(2-methoxyethyl)-4-methyloxolane
CID 145228460
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 59748077
4-(2-methoxyethyl)-1,2,3-trimethylpiperidine
CID 156720081
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
(2S,3R,4R)-3-(2-methoxyethyl)-2,4-bis(methoxymethyl)pyrrolidine
CID 15330691
(2R,3S)-2-ethyl-3-(2-methoxyethyl)thiirane
CID 11355553
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane?
The IUPAC name of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane (CID 168836529) is 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane.
What is the SMILES notation for 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane?
The canonical SMILES for 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane is COCCC1C(C)C(C)C(C)C1C.C[In](C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane?
The InChIKey is CIXIUNPMWNMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.3CH3.In/c1-8-9(2)11(4)12(10(8)3)6-7-13-5;;;;/h8-12H,6-7H2,1-5H3;3*1H3;.
What are the key properties of 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane?
1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane has a molecular weight of 344.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,3,4,5-tetramethylcyclopentane;trimethylindigane is sourced from PubChem (CID 168836529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).