2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol

C17H34O4 — CID 104565818

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
SMILESCCCCOCCOCCOCCC1CC(C)CCC1O
InChIInChI=1S/C17H34O4/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15(2)5-6-17(16)18/h15-18H,3-14H2,1-2H3
InChIKeyQKNKUQKCYUFCGX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.02
Rot. Bonds12

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol (PubChem CID 104565818) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
PubChem CID104565818
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
SMILESCCCCOCCOCCOCCC1CC(C)CCC1O
InChIInChI=1S/C17H34O4/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15(2)5-6-17(16)18/h15-18H,3-14H2,1-2H3
InChIKeyQKNKUQKCYUFCGX-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
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

2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
CID 106455962
4-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-ol
CID 104565820
2-(2-propoxyethyl)cyclopentan-1-ol
CID 79564356
4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 114476472
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(1R,2R,3R,4S,5R)-2-amino-4-butoxy-5-(butoxymethyl)-3-methylcyclohexan-1-ol
CID 121300874
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
CID 58331735
3-(2-butoxyethoxy)-2-ethoxycyclobutan-1-ol
CID 104675355
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopentan-1-ol
CID 104564618

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol (CID 104565818) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol is CCCCOCCOCCOCCC1CC(C)CCC1O.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol?
The InChIKey is QKNKUQKCYUFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-3-4-8-19-10-12-21-13-11-20-9-7-16-14-15(2)5-6-17(16)18/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol has a molecular weight of 302.46 g/mol, XLogP of 3.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 104565818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).