(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol

C12H24O2 — CID 143076476

IUPAC(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol
SMILESCC/C=C(\OCC)C(O)C(C)(C)CC
InChIInChI=1S/C12H24O2/c1-6-9-10(14-8-3)11(13)12(4,5)7-2/h9,11,13H,6-8H2,1-5H3/b10-9-
InChIKeyVPJCOLJAOGKMTA-KTKRTIGZSA-N
MW200.32 g/mol
LogP3.11
Rot. Bonds6

About (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol

(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol (PubChem CID 143076476) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol.

Molecular Properties

Compound Name(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol
PubChem CID143076476
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol
SMILESCC/C=C(\OCC)C(O)C(C)(C)CC
InChIInChI=1S/C12H24O2/c1-6-9-10(14-8-3)11(13)12(4,5)7-2/h9,11,13H,6-8H2,1-5H3/b10-9-
InChIKeyVPJCOLJAOGKMTA-KTKRTIGZSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol?
The IUPAC name of (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol (CID 143076476) is (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol.
What is the SMILES notation for (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol?
The canonical SMILES for (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol is CC/C=C(\OCC)C(O)C(C)(C)CC.
What is the InChIKey of (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol?
The InChIKey is VPJCOLJAOGKMTA-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-9-10(14-8-3)11(13)12(4,5)7-2/h9,11,13H,6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol?
(Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol has a molecular weight of 200.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethoxy-3,3-dimethyloct-5-en-4-ol is sourced from PubChem (CID 143076476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).