3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol

C28H54O5 — CID 139572007

IUPAC3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
SMILESC=C(O)COCCOCCCCCOCCOC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C28H54O5/c1-27(29)26-32-23-22-30-20-16-13-17-21-31-24-25-33-28-18-14-11-9-7-5-3-2-4-6-8-10-12-15-19-28/h28-29H,1-26H2
InChIKeyYZBQLKIGNLCZSF-UHFFFAOYSA-N
MW470.74 g/mol
LogP7.53
Rot. Bonds15

About 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol

3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol (PubChem CID 139572007) has the molecular formula C28H54O5 and a molecular weight of 470.74 g/mol. Its IUPAC name is 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
PubChem CID139572007
Molecular FormulaC28H54O5
Molecular Weight470.74 g/mol
Exact Mass470.40
IUPAC Name3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol
SMILESC=C(O)COCCOCCCCCOCCOC1CCCCCCCCCCCCCCC1
InChIInChI=1S/C28H54O5/c1-27(29)26-32-23-22-30-20-16-13-17-21-31-24-25-33-28-18-14-11-9-7-5-3-2-4-6-8-10-12-15-19-28/h28-29H,1-26H2
InChIKeyYZBQLKIGNLCZSF-UHFFFAOYSA-N
XLogP7.53
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-butoxyethoxycyclobutane
CID 150038799
5-cyclohexyloxy-2-methylidenepentanoic acid
CID 66778436
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
2-bromoprop-2-enoxycycloheptane
CID 88586401
2-methoxyethoxycyclohexane
CID 20550469
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
2-cyclohexyloxyethyl 2-methylprop-2-enoate
CID 14692693
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
tert-butyl 3-[2-(2-cyclohexyloxyethoxy)ethoxy]propanoate
CID 170141063
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol?
The IUPAC name of 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol (CID 139572007) is 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol.
What is the SMILES notation for 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol?
The canonical SMILES for 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol is C=C(O)COCCOCCCCCOCCOC1CCCCCCCCCCCCCCC1.
What is the InChIKey of 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol?
The InChIKey is YZBQLKIGNLCZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O5/c1-27(29)26-32-23-22-30-20-16-13-17-21-31-24-25-33-28-18-14-11-9-7-5-3-2-4-6-8-10-12-15-19-28/h28-29H,1-26H2.
What are the key properties of 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol?
3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol has a molecular weight of 470.74 g/mol, XLogP of 7.53, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(2-cyclohexadecyloxyethoxy)pentoxy]ethoxy]prop-1-en-2-ol is sourced from PubChem (CID 139572007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).