2-methylnona-6,8-diyn-2-ol

C10H14O — CID 14919804

IUPAC2-methylnona-6,8-diyn-2-ol
SMILESC#CC#CCCCC(C)(C)O
InChIInChI=1S/C10H14O/c1-4-5-6-7-8-9-10(2,3)11/h1,11H,7-9H2,2-3H3
InChIKeyCUCQQZCCLXNXPC-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.56
Rot. Bonds3

About 2-methylnona-6,8-diyn-2-ol

2-methylnona-6,8-diyn-2-ol (PubChem CID 14919804) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methylnona-6,8-diyn-2-ol.

Molecular Properties

Compound Name2-methylnona-6,8-diyn-2-ol
PubChem CID14919804
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methylnona-6,8-diyn-2-ol
SMILESC#CC#CCCCC(C)(C)O
InChIInChI=1S/C10H14O/c1-4-5-6-7-8-9-10(2,3)11/h1,11H,7-9H2,2-3H3
InChIKeyCUCQQZCCLXNXPC-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylnona-6,8-diyn-2-ol?
The IUPAC name of 2-methylnona-6,8-diyn-2-ol (CID 14919804) is 2-methylnona-6,8-diyn-2-ol.
What is the SMILES notation for 2-methylnona-6,8-diyn-2-ol?
The canonical SMILES for 2-methylnona-6,8-diyn-2-ol is C#CC#CCCCC(C)(C)O.
What is the InChIKey of 2-methylnona-6,8-diyn-2-ol?
The InChIKey is CUCQQZCCLXNXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-5-6-7-8-9-10(2,3)11/h1,11H,7-9H2,2-3H3.
What are the key properties of 2-methylnona-6,8-diyn-2-ol?
2-methylnona-6,8-diyn-2-ol has a molecular weight of 150.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnona-6,8-diyn-2-ol is sourced from PubChem (CID 14919804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).