(Z)-4-dodecoxybut-2-en-1-ol

C16H32O2 — CID 6912104

IUPAC(Z)-4-dodecoxybut-2-en-1-ol
SMILESCCCCCCCCCCCCOC/C=C\CO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17/h11,13,17H,2-10,12,14-16H2,1H3/b13-11-
InChIKeyPTFZJOFYEURAOP-QBFSEMIESA-N
MW256.43 g/mol
LogP4.47
Rot. Bonds14

About (Z)-4-dodecoxybut-2-en-1-ol

(Z)-4-dodecoxybut-2-en-1-ol (PubChem CID 6912104) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (Z)-4-dodecoxybut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-dodecoxybut-2-en-1-ol
PubChem CID6912104
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(Z)-4-dodecoxybut-2-en-1-ol
SMILESCCCCCCCCCCCCOC/C=C\CO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17/h11,13,17H,2-10,12,14-16H2,1H3/b13-11-
InChIKeyPTFZJOFYEURAOP-QBFSEMIESA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.47
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-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
1-decoxy-3-[(Z)-4-(3-decoxy-2-hydroxypropoxy)but-2-enoxy]propan-2-ol
CID 101028718
(Z)-4-dec-2-ynoxybut-2-en-1-ol
CID 11345122
(E)-4-dec-2-ynoxybut-2-en-1-ol
CID 11218372
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dodecoxybut-2-en-1-ol?
The IUPAC name of (Z)-4-dodecoxybut-2-en-1-ol (CID 6912104) is (Z)-4-dodecoxybut-2-en-1-ol.
What is the SMILES notation for (Z)-4-dodecoxybut-2-en-1-ol?
The canonical SMILES for (Z)-4-dodecoxybut-2-en-1-ol is CCCCCCCCCCCCOC/C=C\CO.
What is the InChIKey of (Z)-4-dodecoxybut-2-en-1-ol?
The InChIKey is PTFZJOFYEURAOP-QBFSEMIESA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17/h11,13,17H,2-10,12,14-16H2,1H3/b13-11-.
What are the key properties of (Z)-4-dodecoxybut-2-en-1-ol?
(Z)-4-dodecoxybut-2-en-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.47, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dodecoxybut-2-en-1-ol is sourced from PubChem (CID 6912104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).