1,4-dipropoxybut-2-yne

C10H18O2 — CID 3017958

IUPAC1,4-dipropoxybut-2-yne
SMILESCCCOCC#CCOCCC
InChIInChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-10H2,1-2H3
InChIKeyZCTCHUYEFFCKCW-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.84
Rot. Bonds6

About 1,4-dipropoxybut-2-yne

1,4-dipropoxybut-2-yne (PubChem CID 3017958) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,4-dipropoxybut-2-yne.

Molecular Properties

Compound Name1,4-dipropoxybut-2-yne
PubChem CID3017958
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,4-dipropoxybut-2-yne
SMILESCCCOCC#CCOCCC
InChIInChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-10H2,1-2H3
InChIKeyZCTCHUYEFFCKCW-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-Methoxy-3-(3-methoxypropoxy)propane
CID 86302
1,4-Dimethoxy-2-butyne
CID 542354
2-Butyne, 1,4-bis(2-propynyloxy)-
CID 10888229
1-Ethoxybut-2-yne
CID 11768503
2,4-Hexadiyne, 1,6-dimethoxy-
CID 11829512
1,6-Dioxacyclodeca-3,8-diyne
CID 138774
1,8-Dimethoxyocta-2,6-diyne
CID 12635231
Trimethyl-[3-(3-trimethylstannylprop-2-ynoxy)prop-1-ynyl]stannane
CID 21590633
1,4-Diethoxybut-2-yne
CID 242999
2-Butyne, 1-(2-butynyloxy)-
CID 11851442
1,4-Bis(but-2-ynoxy)but-2-yne
CID 12089223
1-Ethoxyhex-3-yne
CID 12453678

Frequently Asked Questions

What is the IUPAC name of 1,4-dipropoxybut-2-yne?
The IUPAC name of 1,4-dipropoxybut-2-yne (CID 3017958) is 1,4-dipropoxybut-2-yne.
What is the SMILES notation for 1,4-dipropoxybut-2-yne?
The canonical SMILES for 1,4-dipropoxybut-2-yne is CCCOCC#CCOCCC.
What is the InChIKey of 1,4-dipropoxybut-2-yne?
The InChIKey is ZCTCHUYEFFCKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-9-5-6-10-12-8-4-2/h3-4,7-10H2,1-2H3.
What are the key properties of 1,4-dipropoxybut-2-yne?
1,4-dipropoxybut-2-yne has a molecular weight of 170.25 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropoxybut-2-yne is sourced from PubChem (CID 3017958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).