1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane

C16H31ClO2 — CID 14616115

IUPAC1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane
SMILESC=C(CCl)OCOCCCCCCCCCCCC
InChIInChI=1S/C16H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-19-16(2)14-17/h2-15H2,1H3
InChIKeyLWOIRBFTNJLDLL-UHFFFAOYSA-N
MW290.88 g/mol
LogP5.65
Rot. Bonds15

About 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane

1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane (PubChem CID 14616115) has the molecular formula C16H31ClO2 and a molecular weight of 290.88 g/mol. Its IUPAC name is 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane.

Molecular Properties

Compound Name1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane
PubChem CID14616115
Molecular FormulaC16H31ClO2
Molecular Weight290.88 g/mol
Exact Mass290.20
IUPAC Name1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane
SMILESC=C(CCl)OCOCCCCCCCCCCCC
InChIInChI=1S/C16H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-19-16(2)14-17/h2-15H2,1H3
InChIKeyLWOIRBFTNJLDLL-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.88
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(decoxymethoxy)prop-2-ene-1-sulfonate
CID 101033624
2-(oct-1-en-2-yloxymethoxy)ethanol
CID 87894197
bis(hexoxymethyl) octanedioate
CID 174461943
1-but-1-en-2-yloxyhexane
CID 57257919
1-(chloromethoxy)nonane
CID 12579125
1-oct-1-en-2-yloxydodecane
CID 58247133
1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane?
The IUPAC name of 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane (CID 14616115) is 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane.
What is the SMILES notation for 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane?
The canonical SMILES for 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane is C=C(CCl)OCOCCCCCCCCCCCC.
What is the InChIKey of 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane?
The InChIKey is LWOIRBFTNJLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-19-16(2)14-17/h2-15H2,1H3.
What are the key properties of 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane?
1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane has a molecular weight of 290.88 g/mol, XLogP of 5.65, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-1-en-2-yloxymethoxy)dodecane is sourced from PubChem (CID 14616115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).