(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol

C9H14O2 — CID 134890168

IUPAC(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol
SMILESCOC(C)C#C/C(C)=C\CO
InChIInChI=1S/C9H14O2/c1-8(6-7-10)4-5-9(2)11-3/h6,9-10H,7H2,1-3H3/b8-6-
InChIKeyPZWAQXHHAPPXEG-VURMDHGXSA-N
MW154.21 g/mol
LogP0.96
Rot. Bonds2

About (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol

(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol (PubChem CID 134890168) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol
PubChem CID134890168
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol
SMILESCOC(C)C#C/C(C)=C\CO
InChIInChI=1S/C9H14O2/c1-8(6-7-10)4-5-9(2)11-3/h6,9-10H,7H2,1-3H3/b8-6-
InChIKeyPZWAQXHHAPPXEG-VURMDHGXSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3,7-dimethylocta-2,6-dien-4-yn-1-ol
CID 10898868
Dec-2-en-4,6-diyne-1,8-diol
CID 86103207
3,8-Dimethyldeca-2,8-diene-4,6-diyne-1,10-diol
CID 129786981
(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
CID 134890162
2,7-Dimethylocta-2,6-dien-4-yne-1,8-diol
CID 54067481
(2E,6E)-2,7-dimethylocta-2,6-dien-4-yne-1,8-diol
CID 57428251
3-Methylhex-2-en-4-yn-1-ol
CID 86175172
2-Methyloct-2-en-5-yn-4-ol
CID 87969776
3-Methylbut-2-en-1-ol;3-methylbut-1-yn-1-ol
CID 88815932
(E)-3-methylhex-2-en-4-yn-1-ol
CID 10261063
(Z)-3-methylhept-2-en-4-yn-1-ol
CID 10329297
(Z)-3-methylhex-2-en-4-yn-1-ol
CID 10725309

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol?
The IUPAC name of (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol (CID 134890168) is (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol is COC(C)C#C/C(C)=C\CO.
What is the InChIKey of (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol?
The InChIKey is PZWAQXHHAPPXEG-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(6-7-10)4-5-9(2)11-3/h6,9-10H,7H2,1-3H3/b8-6-.
What are the key properties of (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol?
(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol has a molecular weight of 154.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol is sourced from PubChem (CID 134890168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).