4-but-1-ynyl-4-propan-2-yloxane;ethane

C14H26O — CID 178004481

IUPAC4-but-1-ynyl-4-propan-2-yloxane;ethane
SMILESCC.CCC#CC1(C(C)C)CCOCC1
InChIInChI=1S/C12H20O.C2H6/c1-4-5-6-12(11(2)3)7-9-13-10-8-12;1-2/h11H,4,7-10H2,1-3H3;1-2H3
InChIKeyFCXRLHCSPJOAEK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.88
Rot. Bonds1

About 4-but-1-ynyl-4-propan-2-yloxane;ethane

4-but-1-ynyl-4-propan-2-yloxane;ethane (PubChem CID 178004481) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-but-1-ynyl-4-propan-2-yloxane;ethane.

Molecular Properties

Compound Name4-but-1-ynyl-4-propan-2-yloxane;ethane
PubChem CID178004481
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-but-1-ynyl-4-propan-2-yloxane;ethane
SMILESCC.CCC#CC1(C(C)C)CCOCC1
InChIInChI=1S/C12H20O.C2H6/c1-4-5-6-12(11(2)3)7-9-13-10-8-12;1-2/h11H,4,7-10H2,1-3H3;1-2H3
InChIKeyFCXRLHCSPJOAEK-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.88
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

(3R)-3-propan-2-yloxolane-3-carbonitrile
CID 164551100
ethane;4-ethyl-4-propan-2-yloxane
CID 177350688
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
4-butan-2-yloxan-4-amine
CID 79445166
1-(4-methoxyoxan-4-yl)ethanol
CID 116753835
4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
CID 174263036
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
3-(2-ethyl-1-hydroxybutyl)oxolane-3-carbonitrile
CID 79137340
4-(bromomethyl)-4-(2-methylpentyl)oxane
CID 66049300
4-(bromomethyl)-4-(1-ethoxypropan-2-yloxy)oxane
CID 103490013
ethane;4-ethoxy-4-methyloxane
CID 143599120
(3S)-3-propan-2-yloxolan-3-ol
CID 95379239

Frequently Asked Questions

What is the IUPAC name of 4-but-1-ynyl-4-propan-2-yloxane;ethane?
The IUPAC name of 4-but-1-ynyl-4-propan-2-yloxane;ethane (CID 178004481) is 4-but-1-ynyl-4-propan-2-yloxane;ethane.
What is the SMILES notation for 4-but-1-ynyl-4-propan-2-yloxane;ethane?
The canonical SMILES for 4-but-1-ynyl-4-propan-2-yloxane;ethane is CC.CCC#CC1(C(C)C)CCOCC1.
What is the InChIKey of 4-but-1-ynyl-4-propan-2-yloxane;ethane?
The InChIKey is FCXRLHCSPJOAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O.C2H6/c1-4-5-6-12(11(2)3)7-9-13-10-8-12;1-2/h11H,4,7-10H2,1-3H3;1-2H3.
What are the key properties of 4-but-1-ynyl-4-propan-2-yloxane;ethane?
4-but-1-ynyl-4-propan-2-yloxane;ethane has a molecular weight of 210.36 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-ynyl-4-propan-2-yloxane;ethane is sourced from PubChem (CID 178004481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).