4-methyloct-4-en-1,7-diyn-3-ol

C9H10O — CID 54236197

IUPAC4-methyloct-4-en-1,7-diyn-3-ol
SMILESC#CCC=C(C)C(O)C#C
InChIInChI=1S/C9H10O/c1-4-6-7-8(3)9(10)5-2/h1-2,7,9-10H,6H2,3H3
InChIKeyQMSYFNBRKYPTKN-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.95
Rot. Bonds2

About 4-methyloct-4-en-1,7-diyn-3-ol

4-methyloct-4-en-1,7-diyn-3-ol (PubChem CID 54236197) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-methyloct-4-en-1,7-diyn-3-ol.

Molecular Properties

Compound Name4-methyloct-4-en-1,7-diyn-3-ol
PubChem CID54236197
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name4-methyloct-4-en-1,7-diyn-3-ol
SMILESC#CCC=C(C)C(O)C#C
InChIInChI=1S/C9H10O/c1-4-6-7-8(3)9(10)5-2/h1-2,7,9-10H,6H2,3H3
InChIKeyQMSYFNBRKYPTKN-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyloct-4-en-1,7-diyn-3-ol?
The IUPAC name of 4-methyloct-4-en-1,7-diyn-3-ol (CID 54236197) is 4-methyloct-4-en-1,7-diyn-3-ol.
What is the SMILES notation for 4-methyloct-4-en-1,7-diyn-3-ol?
The canonical SMILES for 4-methyloct-4-en-1,7-diyn-3-ol is C#CCC=C(C)C(O)C#C.
What is the InChIKey of 4-methyloct-4-en-1,7-diyn-3-ol?
The InChIKey is QMSYFNBRKYPTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-4-6-7-8(3)9(10)5-2/h1-2,7,9-10H,6H2,3H3.
What are the key properties of 4-methyloct-4-en-1,7-diyn-3-ol?
4-methyloct-4-en-1,7-diyn-3-ol has a molecular weight of 134.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloct-4-en-1,7-diyn-3-ol is sourced from PubChem (CID 54236197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).