dec-2-en-3-yloxybenzene;propane-1,2,3-triol

C19H32O4 — CID 161166840

IUPACdec-2-en-3-yloxybenzene;propane-1,2,3-triol
SMILESCC=C(CCCCCCC)Oc1ccccc1.OCC(O)CO
InChIInChI=1S/C16H24O.C3H8O3/c1-3-5-6-7-9-12-15(4-2)17-16-13-10-8-11-14-16;4-1-3(6)2-5/h4,8,10-11,13-14H,3,5-7,9,12H2,1-2H3;3-6H,1-2H2
InChIKeyUQQQLEMBPOSFHS-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.66
Rot. Bonds10

About dec-2-en-3-yloxybenzene;propane-1,2,3-triol

dec-2-en-3-yloxybenzene;propane-1,2,3-triol (PubChem CID 161166840) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is dec-2-en-3-yloxybenzene;propane-1,2,3-triol.

Molecular Properties

Compound Namedec-2-en-3-yloxybenzene;propane-1,2,3-triol
PubChem CID161166840
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Namedec-2-en-3-yloxybenzene;propane-1,2,3-triol
SMILESCC=C(CCCCCCC)Oc1ccccc1.OCC(O)CO
InChIInChI=1S/C16H24O.C3H8O3/c1-3-5-6-7-9-12-15(4-2)17-16-13-10-8-11-14-16;4-1-3(6)2-5/h4,8,10-11,13-14H,3,5-7,9,12H2,1-2H3;3-6H,1-2H2
InChIKeyUQQQLEMBPOSFHS-UHFFFAOYSA-N
XLogP3.66
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

icos-2-en-3-yloxybenzene
CID 151595117
CID 172745992
CID 172745992
[(Z)-dec-5-en-5-yl]oxybenzene
CID 135061191
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
4-ethylpentadec-3-en-3-yloxybenzene
CID 150631918
3,3-bis(ethenoxy)-2-(2-phenoxyundec-1-enoxy)prop-2-enoic acid
CID 172735566

Frequently Asked Questions

What is the IUPAC name of dec-2-en-3-yloxybenzene;propane-1,2,3-triol?
The IUPAC name of dec-2-en-3-yloxybenzene;propane-1,2,3-triol (CID 161166840) is dec-2-en-3-yloxybenzene;propane-1,2,3-triol.
What is the SMILES notation for dec-2-en-3-yloxybenzene;propane-1,2,3-triol?
The canonical SMILES for dec-2-en-3-yloxybenzene;propane-1,2,3-triol is CC=C(CCCCCCC)Oc1ccccc1.OCC(O)CO.
What is the InChIKey of dec-2-en-3-yloxybenzene;propane-1,2,3-triol?
The InChIKey is UQQQLEMBPOSFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O.C3H8O3/c1-3-5-6-7-9-12-15(4-2)17-16-13-10-8-11-14-16;4-1-3(6)2-5/h4,8,10-11,13-14H,3,5-7,9,12H2,1-2H3;3-6H,1-2H2.
What are the key properties of dec-2-en-3-yloxybenzene;propane-1,2,3-triol?
dec-2-en-3-yloxybenzene;propane-1,2,3-triol has a molecular weight of 324.46 g/mol, XLogP of 3.66, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dec-2-en-3-yloxybenzene;propane-1,2,3-triol is sourced from PubChem (CID 161166840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).