1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol

C16H34O4 — CID 104565835

IUPAC1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol
SMILESCCCCOCCOCCOCCCC(O)CC(C)C
InChIInChI=1S/C16H34O4/c1-4-5-8-18-10-12-20-13-11-19-9-6-7-16(17)14-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyDTHGXUDTFPTLSH-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.02
Rot. Bonds15

About 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol

1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol (PubChem CID 104565835) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol
PubChem CID104565835
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol
SMILESCCCCOCCOCCOCCCC(O)CC(C)C
InChIInChI=1S/C16H34O4/c1-4-5-8-18-10-12-20-13-11-19-9-6-7-16(17)14-15(2)3/h15-17H,4-14H2,1-3H3
InChIKeyDTHGXUDTFPTLSH-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

6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-3-ol
CID 106802733
(4S)-2-methylnonan-4-ol
CID 86308805
1,19-dibutoxynonadecan-10-ol
CID 129293593
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
butane-2,3-diol;1-butoxybutane
CID 87169993
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
3-(2-butoxyethoxy)-1-chloropropan-1-ol
CID 175308716
22-butoxydocosan-2-ol
CID 88608244
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol (CID 104565835) is 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol is CCCCOCCOCCOCCCC(O)CC(C)C.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol?
The InChIKey is DTHGXUDTFPTLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-4-5-8-18-10-12-20-13-11-19-9-6-7-16(17)14-15(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol?
1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-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 1-[2-(2-butoxyethoxy)ethoxy]-6-methylheptan-4-ol is sourced from PubChem (CID 104565835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).