5-pent-4-ynoxypent-1-yne

C10H14O — CID 57020380

IUPAC5-pent-4-ynoxypent-1-yne
SMILESC#CCCCOCCCC#C
InChIInChI=1S/C10H14O/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-10H2
InChIKeyFWULKMKHCSKUTI-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.83
Rot. Bonds6

About 5-pent-4-ynoxypent-1-yne

5-pent-4-ynoxypent-1-yne (PubChem CID 57020380) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-pent-4-ynoxypent-1-yne.

Molecular Properties

Compound Name5-pent-4-ynoxypent-1-yne
PubChem CID57020380
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-pent-4-ynoxypent-1-yne
SMILESC#CCCCOCCCC#C
InChIInChI=1S/C10H14O/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-10H2
InChIKeyFWULKMKHCSKUTI-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
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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Related Compounds

5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]pent-1-yne
CID 139594107
1,4-bis(but-3-ynoxy)butane
CID 123521140
5-(methoxymethoxy)pent-1-yne
CID 10725365
4-but-3-ynoxybutanenitrile
CID 134336232
11-hexoxyundec-1-yne
CID 89349998
4-(3-chloropropoxy)but-1-yne
CID 55303034
1-(pent-4-ynoxymethoxy)octane
CID 156529634
heptatriaconta-1,36-diyne
CID 58527209
trideca-1,12-diyne
CID 13119526
4-but-3-ynoxybutanal
CID 155251130
5-(difluoromethoxy)pent-1-yne
CID 87387493
9-(hexoxymethoxy)non-1-yne
CID 156529681

Frequently Asked Questions

What is the IUPAC name of 5-pent-4-ynoxypent-1-yne?
The IUPAC name of 5-pent-4-ynoxypent-1-yne (CID 57020380) is 5-pent-4-ynoxypent-1-yne.
What is the SMILES notation for 5-pent-4-ynoxypent-1-yne?
The canonical SMILES for 5-pent-4-ynoxypent-1-yne is C#CCCCOCCCC#C.
What is the InChIKey of 5-pent-4-ynoxypent-1-yne?
The InChIKey is FWULKMKHCSKUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-10H2.
What are the key properties of 5-pent-4-ynoxypent-1-yne?
5-pent-4-ynoxypent-1-yne has a molecular weight of 150.22 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-4-ynoxypent-1-yne is sourced from PubChem (CID 57020380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).