8-methoxynon-2-yn-5-ol

C10H18O2 — CID 105082402

IUPAC8-methoxynon-2-yn-5-ol
SMILESCC#CCC(O)CCC(C)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)8-7-9(2)12-3/h9-11H,6-8H2,1-3H3
InChIKeyMVTSUTFBNXMKEA-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.58
Rot. Bonds5

About 8-methoxynon-2-yn-5-ol

8-methoxynon-2-yn-5-ol (PubChem CID 105082402) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 8-methoxynon-2-yn-5-ol.

Molecular Properties

Compound Name8-methoxynon-2-yn-5-ol
PubChem CID105082402
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name8-methoxynon-2-yn-5-ol
SMILESCC#CCC(O)CCC(C)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-10(11)8-7-9(2)12-3/h9-11H,6-8H2,1-3H3
InChIKeyMVTSUTFBNXMKEA-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.58
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

2-methoxyhept-5-yn-3-ol
CID 79617738
2-methoxynon-7-yn-4-ol
CID 104804259
1,1,1-trifluorohept-5-yn-3-ol
CID 62311577
7,8,8-trimethylnon-2-yn-5-ol
CID 115780052
1-propan-2-ylsulfanylhex-4-yn-2-ol
CID 65134287
1-ethylsulfonyl-7-methoxyoctan-4-ol
CID 105101726
3-methoxybutylsilane
CID 175157864
8-methoxynonan-3-ol
CID 140998506
6-methoxyheptan-3-ol;2-methylprop-2-enoic acid
CID 174791222
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
1-methylsulfonylhex-4-yn-2-ol
CID 115601028
(6R)-6-hydroxydeca-2,8-diyn-4-one
CID 131071219

Frequently Asked Questions

What is the IUPAC name of 8-methoxynon-2-yn-5-ol?
The IUPAC name of 8-methoxynon-2-yn-5-ol (CID 105082402) is 8-methoxynon-2-yn-5-ol.
What is the SMILES notation for 8-methoxynon-2-yn-5-ol?
The canonical SMILES for 8-methoxynon-2-yn-5-ol is CC#CCC(O)CCC(C)OC.
What is the InChIKey of 8-methoxynon-2-yn-5-ol?
The InChIKey is MVTSUTFBNXMKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-10(11)8-7-9(2)12-3/h9-11H,6-8H2,1-3H3.
What are the key properties of 8-methoxynon-2-yn-5-ol?
8-methoxynon-2-yn-5-ol has a molecular weight of 170.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxynon-2-yn-5-ol is sourced from PubChem (CID 105082402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).