(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol

C11H22O3 — CID 134922294

IUPAC(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
SMILESCOC(C/C(C)=C\C(O)C(C)C)OC
InChIInChI=1S/C11H22O3/c1-8(2)10(12)6-9(3)7-11(13-4)14-5/h6,8,10-12H,7H2,1-5H3/b9-6-
InChIKeyQYKXYAFCIJDCTQ-TWGQIWQCSA-N
MW202.29 g/mol
LogP1.96
Rot. Bonds6

About (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol

(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol (PubChem CID 134922294) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol.

Molecular Properties

Compound Name(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
PubChem CID134922294
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
SMILESCOC(C/C(C)=C\C(O)C(C)C)OC
InChIInChI=1S/C11H22O3/c1-8(2)10(12)6-9(3)7-11(13-4)14-5/h6,8,10-12H,7H2,1-5H3/b9-6-
InChIKeyQYKXYAFCIJDCTQ-TWGQIWQCSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.96
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

(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol
CID 11105627
(E)-2-ethyl-5,5-dimethoxypent-2-en-1-ol
CID 16050150
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 101696243
(Z,3S,4S)-3-(methoxymethoxy)-2,6-dimethyloct-5-en-4-ol
CID 101696244
(E,3R)-1,1-dimethoxy-2,2-dimethylhex-4-en-3-ol
CID 101729374
(E,3S,4S)-3-(methoxymethoxy)-2,6-dimethyldec-5-en-4-ol
CID 134892497
(Z,4S,5S)-2,4-dimethylhex-2-ene-1,5-diol
CID 134966633
(E)-4-iodo-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134987922
(Z)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 5324028
(E)-6,6-diethoxy-4-methylhex-3-en-2-ol
CID 5324029
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol?
The IUPAC name of (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol (CID 134922294) is (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol.
What is the SMILES notation for (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol?
The canonical SMILES for (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol is COC(C/C(C)=C\C(O)C(C)C)OC.
What is the InChIKey of (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol?
The InChIKey is QYKXYAFCIJDCTQ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)10(12)6-9(3)7-11(13-4)14-5/h6,8,10-12H,7H2,1-5H3/b9-6-.
What are the key properties of (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol?
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol has a molecular weight of 202.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol is sourced from PubChem (CID 134922294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).