3-methylnon-1-en-4,8-diyne-3,7-diol

C10H12O2 — CID 175422954

IUPAC3-methylnon-1-en-4,8-diyne-3,7-diol
SMILESC#CC(O)CC#CC(C)(O)C=C
InChIInChI=1S/C10H12O2/c1-4-9(11)7-6-8-10(3,12)5-2/h1,5,9,11-12H,2,7H2,3H3
InChIKeyQNQVJMLMNNIYGR-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.31
Rot. Bonds2

About 3-methylnon-1-en-4,8-diyne-3,7-diol

3-methylnon-1-en-4,8-diyne-3,7-diol (PubChem CID 175422954) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methylnon-1-en-4,8-diyne-3,7-diol.

Molecular Properties

Compound Name3-methylnon-1-en-4,8-diyne-3,7-diol
PubChem CID175422954
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methylnon-1-en-4,8-diyne-3,7-diol
SMILESC#CC(O)CC#CC(C)(O)C=C
InChIInChI=1S/C10H12O2/c1-4-9(11)7-6-8-10(3,12)5-2/h1,5,9,11-12H,2,7H2,3H3
InChIKeyQNQVJMLMNNIYGR-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-dec-9-en-4,6-diyne-2,3,8-triol
CID 53324164
7-Methoxyhept-1-en-5-yn-3-ol
CID 12504750
7-Methoxy-7-methyloct-1-en-5-yn-3-ol
CID 12504752
7-Methylocta-5,6-dien-1-yn-4-ol
CID 134884706
6-Methoxy-6-methylhept-1-en-4-yn-3-ol
CID 13647221
6-Ethoxy-6-methylhept-1-en-4-yn-3-ol
CID 86245864
Ethoxyethane;3-methylpent-1-en-4-yn-3-ol
CID 88371943
But-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol
CID 175422955
7-Methylnona-5,6-dien-1-yn-4-ol
CID 12381822
5-Methylhept-6-en-2-yne-1,5-diol
CID 12429446
6-Methyloct-7-en-3-yne-2,6-diol
CID 12429447
Dec-9-en-4,6-diyne-2,3,8-triol
CID 76010834

Frequently Asked Questions

What is the IUPAC name of 3-methylnon-1-en-4,8-diyne-3,7-diol?
The IUPAC name of 3-methylnon-1-en-4,8-diyne-3,7-diol (CID 175422954) is 3-methylnon-1-en-4,8-diyne-3,7-diol.
What is the SMILES notation for 3-methylnon-1-en-4,8-diyne-3,7-diol?
The canonical SMILES for 3-methylnon-1-en-4,8-diyne-3,7-diol is C#CC(O)CC#CC(C)(O)C=C.
What is the InChIKey of 3-methylnon-1-en-4,8-diyne-3,7-diol?
The InChIKey is QNQVJMLMNNIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-9(11)7-6-8-10(3,12)5-2/h1,5,9,11-12H,2,7H2,3H3.
What are the key properties of 3-methylnon-1-en-4,8-diyne-3,7-diol?
3-methylnon-1-en-4,8-diyne-3,7-diol has a molecular weight of 164.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylnon-1-en-4,8-diyne-3,7-diol is sourced from PubChem (CID 175422954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).