3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane

C18H38O2 — CID 123585039

IUPAC3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane
SMILESCCCC(C)(CC)OCCC(C)(CC)OCCC(C)C
InChIInChI=1S/C18H38O2/c1-8-12-17(6,9-2)20-15-13-18(7,10-3)19-14-11-16(4)5/h16H,8-15H2,1-7H3
InChIKeyMWVVITSOIMJNSC-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.59
Rot. Bonds12

About 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane

3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane (PubChem CID 123585039) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane.

Molecular Properties

Compound Name3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane
PubChem CID123585039
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane
SMILESCCCC(C)(CC)OCCC(C)(CC)OCCC(C)C
InChIInChI=1S/C18H38O2/c1-8-12-17(6,9-2)20-15-13-18(7,10-3)19-14-11-16(4)5/h16H,8-15H2,1-7H3
InChIKeyMWVVITSOIMJNSC-UHFFFAOYSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methyl-1-[(2-methylpropan-2-yl)oxy]hexane
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2-(2,3-Dimethylhexan-2-yloxy)-2,3-dimethylhexane
CID 20137649
3-(2,4-Dimethylhexan-3-yloxy)-2,4-dimethylhexane
CID 20137651
3-Ethyl-4-(4-ethylhexan-3-yloxy)hexane
CID 20137658
3-Methyl-1-[(2-methylpropan-2-yl)oxy]hexane
CID 20375218
2-Methoxy-3-(methoxymethyl)-5-methylhexane
CID 21622859
1-Methoxy-2-[[3-[2-(methoxymethyl)pentoxy]-2-methylpropoxy]methyl]pentane
CID 22081181
4-Ethoxy-4-(2-ethoxyethyl)-2,6-dimethylheptane
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2,5-Dimethyl-3,3-bis(pentoxymethyl)hexane
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane?
The IUPAC name of 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane (CID 123585039) is 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane.
What is the SMILES notation for 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane?
The canonical SMILES for 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane is CCCC(C)(CC)OCCC(C)(CC)OCCC(C)C.
What is the InChIKey of 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane?
The InChIKey is MWVVITSOIMJNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-8-12-17(6,9-2)20-15-13-18(7,10-3)19-14-11-16(4)5/h16H,8-15H2,1-7H3.
What are the key properties of 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane?
3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane has a molecular weight of 286.50 g/mol, XLogP of 5.59, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-methyl-3-(3-methylbutoxy)pentoxy]hexane is sourced from PubChem (CID 123585039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).