2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane

C26H54O — CID 122422564

IUPAC2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
SMILESCCCCCCC(OC(CCCCCC)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O/c1-11-13-15-17-19-25(21(3)4,22(5)6)27-26(23(7)8,24(9)10)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3
InChIKeyBJULAIGMRCUYMK-UHFFFAOYSA-N
MW382.72 g/mol
LogP9.05
Rot. Bonds16

About 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane

2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane (PubChem CID 122422564) has the molecular formula C26H54O and a molecular weight of 382.72 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
PubChem CID122422564
Molecular FormulaC26H54O
Molecular Weight382.72 g/mol
Exact Mass382.42
IUPAC Name2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
SMILESCCCCCCC(OC(CCCCCC)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H54O/c1-11-13-15-17-19-25(21(3)4,22(5)6)27-26(23(7)8,24(9)10)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3
InChIKeyBJULAIGMRCUYMK-UHFFFAOYSA-N
XLogP9.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 152510996
(2-methyl-3-propan-2-yldodecan-3-yl)oxybenzene
CID 150202731
2,3,3-trimethyloctadecane
CID 90966938
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
3,3-difluoro-2-methylnonane
CID 121443889
3,3-diethyl-2-methyldodecane
CID 151072312
3-methyl-3-(3-methyloctadecan-3-yloxy)octadecane
CID 141329279
3,3-difluoro-2-methylheptadecane
CID 22951834
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
6-methyl-6-propan-2-ylundecane
CID 87930599
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane?
The IUPAC name of 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane (CID 122422564) is 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane.
What is the SMILES notation for 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane?
The canonical SMILES for 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane is CCCCCCC(OC(CCCCCC)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane?
The InChIKey is BJULAIGMRCUYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O/c1-11-13-15-17-19-25(21(3)4,22(5)6)27-26(23(7)8,24(9)10)20-18-16-14-12-2/h21-24H,11-20H2,1-10H3.
What are the key properties of 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane?
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane has a molecular weight of 382.72 g/mol, XLogP of 9.05, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane is sourced from PubChem (CID 122422564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).