2-methoxynon-7-yn-4-ol

C10H18O2 — CID 104804259

IUPAC2-methoxynon-7-yn-4-ol
SMILESCC#CCCC(O)CC(C)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-10(11)8-9(2)12-3/h9-11H,6-8H2,1-3H3
InChIKeyOLLSDPYGKBQCLP-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.58
Rot. Bonds5

About 2-methoxynon-7-yn-4-ol

2-methoxynon-7-yn-4-ol (PubChem CID 104804259) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methoxynon-7-yn-4-ol.

Molecular Properties

Compound Name2-methoxynon-7-yn-4-ol
PubChem CID104804259
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methoxynon-7-yn-4-ol
SMILESCC#CCCC(O)CC(C)OC
InChIInChI=1S/C10H18O2/c1-4-5-6-7-10(11)8-9(2)12-3/h9-11H,6-8H2,1-3H3
InChIKeyOLLSDPYGKBQCLP-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

8-methoxynon-2-yn-5-ol
CID 105082402
2-methyldec-8-yn-4-ol
CID 104810073
1-propan-2-ylsulfanylhept-5-yn-2-ol
CID 104803843
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059
3-methyloct-6-yn-2-ol
CID 104810026
methanol;5-methoxyhexan-3-ol
CID 171659791
1-(2-methoxyethylamino)hept-5-yn-2-ol
CID 104813071
2-methoxyhept-5-yn-3-ol
CID 79617738
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
1-(ethylamino)hept-5-yn-2-ol
CID 104813053
1-(tert-butylamino)hept-5-yn-2-ol
CID 104813065
6,7-dimethylnon-2-yne
CID 123813434

Frequently Asked Questions

What is the IUPAC name of 2-methoxynon-7-yn-4-ol?
The IUPAC name of 2-methoxynon-7-yn-4-ol (CID 104804259) is 2-methoxynon-7-yn-4-ol.
What is the SMILES notation for 2-methoxynon-7-yn-4-ol?
The canonical SMILES for 2-methoxynon-7-yn-4-ol is CC#CCCC(O)CC(C)OC.
What is the InChIKey of 2-methoxynon-7-yn-4-ol?
The InChIKey is OLLSDPYGKBQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-5-6-7-10(11)8-9(2)12-3/h9-11H,6-8H2,1-3H3.
What are the key properties of 2-methoxynon-7-yn-4-ol?
2-methoxynon-7-yn-4-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 2-methoxynon-7-yn-4-ol is sourced from PubChem (CID 104804259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).