1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane

C19H40O2 — CID 158699807

IUPAC1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCCCOCCCC(C)(C)C
InChIInChI=1S/C19H40O2/c1-18(2,3)12-10-16-20-14-8-7-9-15-21-17-11-13-19(4,5)6/h7-17H2,1-6H3
InChIKeyIHJZEQSFMJAKTD-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.84
Rot. Bonds12

About 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane

1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane (PubChem CID 158699807) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane.

Molecular Properties

Compound Name1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
PubChem CID158699807
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
SMILESCC(C)(C)CCCOCCCCCOCCCC(C)(C)C
InChIInChI=1S/C19H40O2/c1-18(2,3)12-10-16-20-14-8-7-9-15-21-17-11-13-19(4,5)6/h7-17H2,1-6H3
InChIKeyIHJZEQSFMJAKTD-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethylhexoxy)octadecane
CID 172523117
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
6,6-dimethyl-1-[5-[(2-methylpropan-2-yl)oxy]pentoxy]heptane
CID 159349044
1-butoxy-5,5-dimethylhexane
CID 134574772
1-ethoxy-6,6-dimethylheptane
CID 58021102
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
3-(4,4-dimethylpentoxy)propoxysilane
CID 123352079
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
1-(3,3-dimethylbutoxy)-17,17-difluorooctadecane
CID 126578389

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane?
The IUPAC name of 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane (CID 158699807) is 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane.
What is the SMILES notation for 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane?
The canonical SMILES for 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane is CC(C)(C)CCCOCCCCCOCCCC(C)(C)C.
What is the InChIKey of 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane?
The InChIKey is IHJZEQSFMJAKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-18(2,3)12-10-16-20-14-8-7-9-15-21-17-11-13-19(4,5)6/h7-17H2,1-6H3.
What are the key properties of 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane?
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane has a molecular weight of 300.53 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane is sourced from PubChem (CID 158699807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).