(E)-6,6-diethoxy-4-methylhex-3-en-2-ol

C11H22O3 — CID 5324029

IUPAC(E)-6,6-diethoxy-4-methylhex-3-en-2-ol
SMILESCCOC(C/C(C)=C/C(C)O)OCC
InChIInChI=1S/C11H22O3/c1-5-13-11(14-6-2)8-9(3)7-10(4)12/h7,10-12H,5-6,8H2,1-4H3/b9-7+
InChIKeyCUVVKSLYUKJUHF-VQHVLOKHSA-N
MW202.29 g/mol
LogP2.10
Rot. Bonds7

About (E)-6,6-diethoxy-4-methylhex-3-en-2-ol

(E)-6,6-diethoxy-4-methylhex-3-en-2-ol (PubChem CID 5324029) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (E)-6,6-diethoxy-4-methylhex-3-en-2-ol.

Molecular Properties

Compound Name(E)-6,6-diethoxy-4-methylhex-3-en-2-ol
PubChem CID5324029
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(E)-6,6-diethoxy-4-methylhex-3-en-2-ol
SMILESCCOC(C/C(C)=C/C(C)O)OCC
InChIInChI=1S/C11H22O3/c1-5-13-11(14-6-2)8-9(3)7-10(4)12/h7,10-12H,5-6,8H2,1-4H3/b9-7+
InChIKeyCUVVKSLYUKJUHF-VQHVLOKHSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.10
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

(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran-6-ol
CID 11062800
2-Hexen-1-ol, 6-(1-ethoxyethoxy)-, (2E)-
CID 6437396
(E)-2-ethyl-5,5-dimethoxypent-2-en-1-ol
CID 16050150
(E,2S)-4-(methoxymethoxymethyl)hex-3-en-2-ol
CID 60153429
1,1-Diathoxy-4-hydroxy-2-penten
CID 85393239
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134922294
(Z)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 5324028
(E,2R)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 15939107
(5E)-8,8-diethoxy-2,6-dimethyl-2,5-octadien-4-ol
CID 24977960
(E)-8,8-diethoxy-6-methyl-3-methylideneoct-5-en-4-ol
CID 101945598
(3E,5E)-8,8-diethoxy-2,6-dimethylocta-3,5-dien-2-ol
CID 15225087

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-diethoxy-4-methylhex-3-en-2-ol?
The IUPAC name of (E)-6,6-diethoxy-4-methylhex-3-en-2-ol (CID 5324029) is (E)-6,6-diethoxy-4-methylhex-3-en-2-ol.
What is the SMILES notation for (E)-6,6-diethoxy-4-methylhex-3-en-2-ol?
The canonical SMILES for (E)-6,6-diethoxy-4-methylhex-3-en-2-ol is CCOC(C/C(C)=C/C(C)O)OCC.
What is the InChIKey of (E)-6,6-diethoxy-4-methylhex-3-en-2-ol?
The InChIKey is CUVVKSLYUKJUHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-13-11(14-6-2)8-9(3)7-10(4)12/h7,10-12H,5-6,8H2,1-4H3/b9-7+.
What are the key properties of (E)-6,6-diethoxy-4-methylhex-3-en-2-ol?
(E)-6,6-diethoxy-4-methylhex-3-en-2-ol has a molecular weight of 202.29 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-diethoxy-4-methylhex-3-en-2-ol is sourced from PubChem (CID 5324029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).