4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane

C18H38O — CID 169317578

IUPAC4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCOCC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H38O/c1-16(2,3)10-11-19-14-15(12-17(4,5)6)13-18(7,8)9/h15H,10-14H2,1-9H3
InChIKeyPWTNIUHIAJQCMU-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.93
Rot. Bonds6

About 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane

4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane (PubChem CID 169317578) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
PubChem CID169317578
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCOCC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H38O/c1-16(2,3)10-11-19-14-15(12-17(4,5)6)13-18(7,8)9/h15H,10-14H2,1-9H3
InChIKeyPWTNIUHIAJQCMU-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.93
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

3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
methane;1-[3-methoxy-2-(methoxymethyl)propoxy]-2-[[3-methoxy-2-(methoxymethyl)propoxy]methyl]-4,4-dimethylpentane
CID 157491950
2-(3,3-dimethylbutoxymethyl)pentane-1-sulfonamide
CID 66227328
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
1-(3,3-dimethylbutoxy)-N-ethylbutan-2-amine
CID 66231555
1-(3,3-dimethylbutoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 66234263
5-(2,2-dimethylpropyl)-2,2,8,8-tetramethylnonane;methane
CID 160846124
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
1-(3,3-dimethylbutoxy)-N-propylpropan-2-amine
CID 66232455
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane?
The IUPAC name of 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane (CID 169317578) is 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane.
What is the SMILES notation for 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane?
The canonical SMILES for 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane is CC(C)(C)CCOCC(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane?
The InChIKey is PWTNIUHIAJQCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-16(2,3)10-11-19-14-15(12-17(4,5)6)13-18(7,8)9/h15H,10-14H2,1-9H3.
What are the key properties of 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane?
4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane has a molecular weight of 270.50 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxymethyl)-2,2,6,6-tetramethylheptane is sourced from PubChem (CID 169317578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).