7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol

C16H34O4 — CID 89363251

IUPAC7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol
SMILESCCOCCCOCCCOCC(C)CCCC(C)O
InChIInChI=1S/C16H34O4/c1-4-18-10-6-11-19-12-7-13-20-14-15(2)8-5-9-16(3)17/h15-17H,4-14H2,1-3H3
InChIKeyYEKCXFLUMYHVQC-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.02
Rot. Bonds15

About 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol

7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol (PubChem CID 89363251) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol.

Molecular Properties

Compound Name7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol
PubChem CID89363251
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol
SMILESCCOCCCOCCCOCC(C)CCCC(C)O
InChIInChI=1S/C16H34O4/c1-4-18-10-6-11-19-12-7-13-20-14-15(2)8-5-9-16(3)17/h15-17H,4-14H2,1-3H3
InChIKeyYEKCXFLUMYHVQC-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
1,4-diethoxy-2-methylbutane
CID 59899860
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
22-butoxydocosan-2-ol
CID 88608244
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
3-(2-methylhexoxy)propan-1-ol
CID 134975986
6-methylnonan-2-ol
CID 19931334
5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 64665808
4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
(2S)-1-butoxypropan-2-ol
CID 54289557

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol?
The IUPAC name of 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol (CID 89363251) is 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol.
What is the SMILES notation for 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol?
The canonical SMILES for 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol is CCOCCCOCCCOCC(C)CCCC(C)O.
What is the InChIKey of 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol?
The InChIKey is YEKCXFLUMYHVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-4-18-10-6-11-19-12-7-13-20-14-15(2)8-5-9-16(3)17/h15-17H,4-14H2,1-3H3.
What are the key properties of 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol?
7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol has a molecular weight of 290.44 g/mol, XLogP of 3.02, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-ethoxypropoxy)propoxy]-6-methylheptan-2-ol is sourced from PubChem (CID 89363251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).