9-(hexoxymethoxy)non-1-yne

C16H30O2 — CID 156529681

IUPAC9-(hexoxymethoxy)non-1-yne
SMILESC#CCCCCCCCOCOCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-13-15-18-16-17-14-12-8-6-4-2/h1H,4-16H2,2H3
InChIKeyKARCZRLPHLAIJZ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.53
Rot. Bonds14

About 9-(hexoxymethoxy)non-1-yne

9-(hexoxymethoxy)non-1-yne (PubChem CID 156529681) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 9-(hexoxymethoxy)non-1-yne.

Molecular Properties

Compound Name9-(hexoxymethoxy)non-1-yne
PubChem CID156529681
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name9-(hexoxymethoxy)non-1-yne
SMILESC#CCCCCCCCOCOCCCCCC
InChIInChI=1S/C16H30O2/c1-3-5-7-9-10-11-13-15-18-16-17-14-12-8-6-4-2/h1H,4-16H2,2H3
InChIKeyKARCZRLPHLAIJZ-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-(octoxymethoxy)non-1-yne
CID 156529699
1-(pent-4-ynoxymethoxy)octane
CID 156529634
1-(but-3-ynoxymethoxy)hexane
CID 156529666
11-hexoxyundec-1-yne
CID 89349998
8-(ethoxymethoxy)oct-1-yne
CID 156529670
1-(prop-2-ynoxymethoxy)decane
CID 156529651
oct-1-yne
CID 19597608
CID 172706336
CID 172706336
5-(methoxymethoxy)pent-1-yne
CID 10725365
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 9-(hexoxymethoxy)non-1-yne?
The IUPAC name of 9-(hexoxymethoxy)non-1-yne (CID 156529681) is 9-(hexoxymethoxy)non-1-yne.
What is the SMILES notation for 9-(hexoxymethoxy)non-1-yne?
The canonical SMILES for 9-(hexoxymethoxy)non-1-yne is C#CCCCCCCCOCOCCCCCC.
What is the InChIKey of 9-(hexoxymethoxy)non-1-yne?
The InChIKey is KARCZRLPHLAIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-9-10-11-13-15-18-16-17-14-12-8-6-4-2/h1H,4-16H2,2H3.
What are the key properties of 9-(hexoxymethoxy)non-1-yne?
9-(hexoxymethoxy)non-1-yne has a molecular weight of 254.41 g/mol, XLogP of 4.53, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hexoxymethoxy)non-1-yne is sourced from PubChem (CID 156529681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).