2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane

C19H38 — CID 123435372

IUPAC2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane
SMILESCCC(C)CCC(C)CCCC1C(C)C(C)C1(C)C
InChIInChI=1S/C19H38/c1-8-14(2)12-13-15(3)10-9-11-18-16(4)17(5)19(18,6)7/h14-18H,8-13H2,1-7H3
InChIKeyRLJMSPAMYKYAHT-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.55
Rot. Bonds8

About 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane

2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane (PubChem CID 123435372) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane.

Molecular Properties

Compound Name2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane
PubChem CID123435372
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane
SMILESCCC(C)CCC(C)CCCC1C(C)C(C)C1(C)C
InChIInChI=1S/C19H38/c1-8-14(2)12-13-15(3)10-9-11-18-16(4)17(5)19(18,6)7/h14-18H,8-13H2,1-7H3
InChIKeyRLJMSPAMYKYAHT-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(3,7-dimethylnonyl)-1,2,3,4,4,6-hexamethylcyclohexene
CID 123992399
(3R,6S)-3,6-dimethyldecane
CID 170848353
(3R,7R)-3,7-dimethylnonane
CID 42626759
2-(3,7-dimethylnonyl)-1,1,3-trimethylcyclohexane
CID 71374334
1,2-dimethyl-3-(3-methylpentyl)cyclopropane
CID 91514348
3-ethyl-6,11-dimethyltridecane
CID 123237146
4,7-dimethylnonan-1-ol
CID 87272409
4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane
CID 123925488
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
(3R,6R)-3,6-dimethylnonane
CID 170848352
(5R)-1,1,2-trimethyl-5-[(3S)-3-methylpentyl]cyclopentane
CID 145389253
3,13-dimethyltritriacontane
CID 6431058

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane?
The IUPAC name of 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane (CID 123435372) is 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane.
What is the SMILES notation for 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane?
The canonical SMILES for 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane is CCC(C)CCC(C)CCCC1C(C)C(C)C1(C)C.
What is the InChIKey of 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane?
The InChIKey is RLJMSPAMYKYAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-8-14(2)12-13-15(3)10-9-11-18-16(4)17(5)19(18,6)7/h14-18H,8-13H2,1-7H3.
What are the key properties of 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane?
2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane has a molecular weight of 266.51 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane is sourced from PubChem (CID 123435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).