2-(4-methylpent-1-ynyl)oxolane

C10H16O — CID 171837424

IUPAC2-(4-methylpent-1-ynyl)oxolane
SMILESCC(C)CC#CC1CCCO1
InChIInChI=1S/C10H16O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,4-5,7-8H2,1-2H3
InChIKeyZZSKOWIUBAJXKR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds1

About 2-(4-methylpent-1-ynyl)oxolane

2-(4-methylpent-1-ynyl)oxolane (PubChem CID 171837424) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-methylpent-1-ynyl)oxolane.

Molecular Properties

Compound Name2-(4-methylpent-1-ynyl)oxolane
PubChem CID171837424
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(4-methylpent-1-ynyl)oxolane
SMILESCC(C)CC#CC1CCCO1
InChIInChI=1S/C10H16O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,4-5,7-8H2,1-2H3
InChIKeyZZSKOWIUBAJXKR-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine
CID 117265086
(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol
CID 124706731
2-(oxolan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 15362352
2-oct-1-ynyloxolane
CID 15274342
2-(3-methylbut-1-ynyl)oxane
CID 164769356
2-(3-methylbut-1-ynyl)oxetane
CID 118688794
(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
CID 159887703
2-methyl-3-(2-methylpropyl)oxane
CID 67691431
2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437
(2S)-2-[2-(4-chlorophenyl)ethynyl]oxolane
CID 125483807

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpent-1-ynyl)oxolane?
The IUPAC name of 2-(4-methylpent-1-ynyl)oxolane (CID 171837424) is 2-(4-methylpent-1-ynyl)oxolane.
What is the SMILES notation for 2-(4-methylpent-1-ynyl)oxolane?
The canonical SMILES for 2-(4-methylpent-1-ynyl)oxolane is CC(C)CC#CC1CCCO1.
What is the InChIKey of 2-(4-methylpent-1-ynyl)oxolane?
The InChIKey is ZZSKOWIUBAJXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)5-3-6-10-7-4-8-11-10/h9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 2-(4-methylpent-1-ynyl)oxolane?
2-(4-methylpent-1-ynyl)oxolane has a molecular weight of 152.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpent-1-ynyl)oxolane is sourced from PubChem (CID 171837424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).