(Z)-5-tert-butyloct-3-ene-2,5-diol

C12H24O2 — CID 87676620

IUPAC(Z)-5-tert-butyloct-3-ene-2,5-diol
SMILESCCCC(O)(/C=C\C(C)O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-6-8-12(14,11(3,4)5)9-7-10(2)13/h7,9-10,13-14H,6,8H2,1-5H3/b9-7-
InChIKeyYLWVSTUIPIADCC-CLFYSBASSA-N
MW200.32 g/mol
LogP2.50
Rot. Bonds4

About (Z)-5-tert-butyloct-3-ene-2,5-diol

(Z)-5-tert-butyloct-3-ene-2,5-diol (PubChem CID 87676620) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-5-tert-butyloct-3-ene-2,5-diol.

Molecular Properties

Compound Name(Z)-5-tert-butyloct-3-ene-2,5-diol
PubChem CID87676620
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-5-tert-butyloct-3-ene-2,5-diol
SMILESCCCC(O)(/C=C\C(C)O)C(C)(C)C
InChIInChI=1S/C12H24O2/c1-6-8-12(14,11(3,4)5)9-7-10(2)13/h7,9-10,13-14H,6,8H2,1-5H3/b9-7-
InChIKeyYLWVSTUIPIADCC-CLFYSBASSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-tert-butyloct-3-ene-2,5-diol?
The IUPAC name of (Z)-5-tert-butyloct-3-ene-2,5-diol (CID 87676620) is (Z)-5-tert-butyloct-3-ene-2,5-diol.
What is the SMILES notation for (Z)-5-tert-butyloct-3-ene-2,5-diol?
The canonical SMILES for (Z)-5-tert-butyloct-3-ene-2,5-diol is CCCC(O)(/C=C\C(C)O)C(C)(C)C.
What is the InChIKey of (Z)-5-tert-butyloct-3-ene-2,5-diol?
The InChIKey is YLWVSTUIPIADCC-CLFYSBASSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-8-12(14,11(3,4)5)9-7-10(2)13/h7,9-10,13-14H,6,8H2,1-5H3/b9-7-.
What are the key properties of (Z)-5-tert-butyloct-3-ene-2,5-diol?
(Z)-5-tert-butyloct-3-ene-2,5-diol has a molecular weight of 200.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-tert-butyloct-3-ene-2,5-diol is sourced from PubChem (CID 87676620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).