(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol

C12H24O3 — CID 10889316

IUPAC(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
SMILESCC(C)OC(C/C=C\CCO)OC(C)C
InChIInChI=1S/C12H24O3/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5-
InChIKeyIGQHEOCCIUATOK-WAYWQWQTSA-N
MW216.32 g/mol
LogP2.49
Rot. Bonds8

About (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol

(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol (PubChem CID 10889316) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
PubChem CID10889316
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
SMILESCC(C)OC(C/C=C\CCO)OC(C)C
InChIInChI=1S/C12H24O3/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5-
InChIKeyIGQHEOCCIUATOK-WAYWQWQTSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde ethyl (Z)-3-hexenyl acetal
CID 5366352
3-Hexene, 1,1-diethoxy-, (3Z)-
CID 5364291
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
CID 5463962
3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (3Z,3'Z)-
CID 113198
3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
CID 6366609
3-Hexene, 1-(1-methoxypropoxy)-, (3Z)-
CID 20836345
1,1-Diethoxyhex-3-ene
CID 166431
Acetaldehyde di-cis-3-hexenyl acetal
CID 5367767
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
3-Hexene, 1-(1-methoxyethoxy)-, (Z)-
CID 5365355
1-(1-Ethoxyethoxy)hex-3-ene
CID 108504
(E)-1,1-diethoxyhex-3-ene
CID 6506389

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol?
The IUPAC name of (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol (CID 10889316) is (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol.
What is the SMILES notation for (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol?
The canonical SMILES for (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol is CC(C)OC(C/C=C\CCO)OC(C)C.
What is the InChIKey of (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol?
The InChIKey is IGQHEOCCIUATOK-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(2)14-12(15-11(3)4)8-6-5-7-9-13/h5-6,10-13H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol?
(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol is sourced from PubChem (CID 10889316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).