2-(hexadecoxymethyl)prop-2-en-1-ol

C20H40O2 — CID 11358886

IUPAC2-(hexadecoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-20(2)18-21/h21H,2-19H2,1H3
InChIKeyBLOYIBPNUUFPHR-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.03
Rot. Bonds18

About 2-(hexadecoxymethyl)prop-2-en-1-ol

2-(hexadecoxymethyl)prop-2-en-1-ol (PubChem CID 11358886) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-(hexadecoxymethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(hexadecoxymethyl)prop-2-en-1-ol
PubChem CID11358886
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-(hexadecoxymethyl)prop-2-en-1-ol
SMILESC=C(CO)COCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-20(2)18-21/h21H,2-19H2,1H3
InChIKeyBLOYIBPNUUFPHR-UHFFFAOYSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
8-(2-Methylprop-2-enoxy)octan-1-ol
CID 140220780
12-(2-Methylprop-2-enoxy)dodecan-1-ol
CID 140220784
10-(2-Methylprop-2-enoxy)decan-1-ol
CID 140220786
2-(Octadecoxymethyl)prop-2-en-1-ol
CID 15611383
1-[2-(Methoxymethyl)prop-2-enoxy]octadecane
CID 21596693
7-(2-Methylprop-2-enoxy)heptan-1-ol
CID 19780195
3-Hexadecoxy-2-(2-methylprop-2-enoxy)propan-1-ol
CID 19939559
2-(Prop-2-enoxymethyl)-3-tridecoxypropan-1-ol
CID 20750563
3-(Prop-2-enoxymethyl)-4-tridecoxybutan-1-ol
CID 20750570
1-[2-(Heptadecoxymethyl)prop-2-enoxy]heptadecane
CID 86007908
1-[2-(Heptoxymethyl)prop-2-enoxy]heptane
CID 138543680

Frequently Asked Questions

What is the IUPAC name of 2-(hexadecoxymethyl)prop-2-en-1-ol?
The IUPAC name of 2-(hexadecoxymethyl)prop-2-en-1-ol (CID 11358886) is 2-(hexadecoxymethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(hexadecoxymethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(hexadecoxymethyl)prop-2-en-1-ol is C=C(CO)COCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(hexadecoxymethyl)prop-2-en-1-ol?
The InChIKey is BLOYIBPNUUFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-20(2)18-21/h21H,2-19H2,1H3.
What are the key properties of 2-(hexadecoxymethyl)prop-2-en-1-ol?
2-(hexadecoxymethyl)prop-2-en-1-ol has a molecular weight of 312.54 g/mol, XLogP of 6.03, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexadecoxymethyl)prop-2-en-1-ol is sourced from PubChem (CID 11358886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).