(Z,3R)-1-butoxytetradec-7-en-3-ol

C18H36O2 — CID 164718486

IUPAC(Z,3R)-1-butoxytetradec-7-en-3-ol
SMILESCCCCCC/C=C\CCC[C@@H](O)CCOCCCC
InChIInChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-18(19)15-17-20-16-6-4-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10-/t18-/m1/s1
InChIKeySDUOJAXJLPMZCH-RXQFDZFGSA-N
MW284.48 g/mol
LogP5.25
Rot. Bonds15

About (Z,3R)-1-butoxytetradec-7-en-3-ol

(Z,3R)-1-butoxytetradec-7-en-3-ol (PubChem CID 164718486) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is (Z,3R)-1-butoxytetradec-7-en-3-ol.

Molecular Properties

Compound Name(Z,3R)-1-butoxytetradec-7-en-3-ol
PubChem CID164718486
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name(Z,3R)-1-butoxytetradec-7-en-3-ol
SMILESCCCCCC/C=C\CCC[C@@H](O)CCOCCCC
InChIInChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-18(19)15-17-20-16-6-4-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10-/t18-/m1/s1
InChIKeySDUOJAXJLPMZCH-RXQFDZFGSA-N
XLogP5.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.25
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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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-1-butoxytetradec-7-en-3-ol?
The IUPAC name of (Z,3R)-1-butoxytetradec-7-en-3-ol (CID 164718486) is (Z,3R)-1-butoxytetradec-7-en-3-ol.
What is the SMILES notation for (Z,3R)-1-butoxytetradec-7-en-3-ol?
The canonical SMILES for (Z,3R)-1-butoxytetradec-7-en-3-ol is CCCCCC/C=C\CCC[C@@H](O)CCOCCCC.
What is the InChIKey of (Z,3R)-1-butoxytetradec-7-en-3-ol?
The InChIKey is SDUOJAXJLPMZCH-RXQFDZFGSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-18(19)15-17-20-16-6-4-2/h10-11,18-19H,3-9,12-17H2,1-2H3/b11-10-/t18-/m1/s1.
What are the key properties of (Z,3R)-1-butoxytetradec-7-en-3-ol?
(Z,3R)-1-butoxytetradec-7-en-3-ol has a molecular weight of 284.48 g/mol, XLogP of 5.25, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-1-butoxytetradec-7-en-3-ol is sourced from PubChem (CID 164718486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).