5-methoxynon-8-en-3-yn-1-ol

C10H16O2 — CID 71418969

IUPAC5-methoxynon-8-en-3-yn-1-ol
SMILESC=CCCC(C#CCCO)OC
InChIInChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h3,10-11H,1,4,6-7,9H2,2H3
InChIKeyVOGRTHDHNJRICL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.35
Rot. Bonds5

About 5-methoxynon-8-en-3-yn-1-ol

5-methoxynon-8-en-3-yn-1-ol (PubChem CID 71418969) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methoxynon-8-en-3-yn-1-ol.

Molecular Properties

Compound Name5-methoxynon-8-en-3-yn-1-ol
PubChem CID71418969
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methoxynon-8-en-3-yn-1-ol
SMILESC=CCCC(C#CCCO)OC
InChIInChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h3,10-11H,1,4,6-7,9H2,2H3
InChIKeyVOGRTHDHNJRICL-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
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

(3S)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 162894043
(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 163193273
(5R)-non-1-en-7-yn-5-ol
CID 72374908
2-Hydroxy-pentadec-14-en-6-yne
CID 129866461
6,10-Dodecadien-1-yn-3-ol
CID 90973974
(4R)-undec-1-en-5-yn-4-ol
CID 11159528
(5R)-non-1-en-6-yn-5-ol
CID 11309547
Non-8-en-5-yn-4-ol
CID 11804829
7-Methoxyhept-1-en-5-yn-3-ol
CID 12504750
7-Methoxy-7-methyloct-1-en-5-yn-3-ol
CID 12504752
7,8-Dodecadien-5-yn-4-ol
CID 13028937
1-Methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
CID 14271068

Frequently Asked Questions

What is the IUPAC name of 5-methoxynon-8-en-3-yn-1-ol?
The IUPAC name of 5-methoxynon-8-en-3-yn-1-ol (CID 71418969) is 5-methoxynon-8-en-3-yn-1-ol.
What is the SMILES notation for 5-methoxynon-8-en-3-yn-1-ol?
The canonical SMILES for 5-methoxynon-8-en-3-yn-1-ol is C=CCCC(C#CCCO)OC.
What is the InChIKey of 5-methoxynon-8-en-3-yn-1-ol?
The InChIKey is VOGRTHDHNJRICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-7-10(12-2)8-5-6-9-11/h3,10-11H,1,4,6-7,9H2,2H3.
What are the key properties of 5-methoxynon-8-en-3-yn-1-ol?
5-methoxynon-8-en-3-yn-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynon-8-en-3-yn-1-ol is sourced from PubChem (CID 71418969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).