1-(2-hexyldecoxy)ethanol

C18H38O2 — CID 21270603

IUPAC1-(2-hexyldecoxy)ethanol
SMILESCCCCCCCCC(CCCCCC)COC(C)O
InChIInChI=1S/C18H38O2/c1-4-6-8-10-11-13-15-18(16-20-17(3)19)14-12-9-7-5-2/h17-19H,4-16H2,1-3H3
InChIKeyCAAXACKJXOSQCR-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.68
Rot. Bonds15

About 1-(2-hexyldecoxy)ethanol

1-(2-hexyldecoxy)ethanol (PubChem CID 21270603) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-(2-hexyldecoxy)ethanol.

Molecular Properties

Compound Name1-(2-hexyldecoxy)ethanol
PubChem CID21270603
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-(2-hexyldecoxy)ethanol
SMILESCCCCCCCCC(CCCCCC)COC(C)O
InChIInChI=1S/C18H38O2/c1-4-6-8-10-11-13-15-18(16-20-17(3)19)14-12-9-7-5-2/h17-19H,4-16H2,1-3H3
InChIKeyCAAXACKJXOSQCR-UHFFFAOYSA-N
XLogP5.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

11-[[1-(2-decyltetradecoxy)-3-methylbutoxy]methyl]tricosane
CID 162425536
9-(1-ethoxyethoxymethyl)nonadecane
CID 88960911
11-[[1-(2-decyltetradecoxy)-2-methylhexoxy]methyl]tricosane
CID 162425524
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
19-(methoxymethyl)heptatriacontane
CID 59499210
1-heptacontoxyethanol
CID 169098461
13-methyl-24-tetradecyltritetracontane
CID 173071329
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
11,13-didecyltricosane
CID 91473894
9-heptyl-11-octylnonadecane
CID 91326024
9-hexylheptadecan-7-ol
CID 19871685
9,17-dimethyl-11,13,15-trioctylpentacosane
CID 140909341

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyldecoxy)ethanol?
The IUPAC name of 1-(2-hexyldecoxy)ethanol (CID 21270603) is 1-(2-hexyldecoxy)ethanol.
What is the SMILES notation for 1-(2-hexyldecoxy)ethanol?
The canonical SMILES for 1-(2-hexyldecoxy)ethanol is CCCCCCCCC(CCCCCC)COC(C)O.
What is the InChIKey of 1-(2-hexyldecoxy)ethanol?
The InChIKey is CAAXACKJXOSQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-4-6-8-10-11-13-15-18(16-20-17(3)19)14-12-9-7-5-2/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-(2-hexyldecoxy)ethanol?
1-(2-hexyldecoxy)ethanol has a molecular weight of 286.50 g/mol, XLogP of 5.68, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyldecoxy)ethanol is sourced from PubChem (CID 21270603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).