1-[(2-methylpropan-2-yl)oxy]dec-5-yne

C14H26O — CID 638109

IUPAC1-[(2-methylpropan-2-yl)oxy]dec-5-yne
SMILESCCCCC#CCCCCOC(C)(C)C
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-7,10-13H2,1-4H3
InChIKeyNKDNMDGICDKBFG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.17
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]dec-5-yne

1-[(2-methylpropan-2-yl)oxy]dec-5-yne (PubChem CID 638109) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]dec-5-yne.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]dec-5-yne
PubChem CID638109
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-[(2-methylpropan-2-yl)oxy]dec-5-yne
SMILESCCCCC#CCCCCOC(C)(C)C
InChIInChI=1S/C14H26O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-7,10-13H2,1-4H3
InChIKeyNKDNMDGICDKBFG-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.17
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

Amyl-t-butyl ether
CID 139094
5-[(2-Methylpropan-2-yl)oxy]pent-2-yne
CID 57887491
1-[(2-Methylpropan-2-yl)oxy]hex-3-yne
CID 85975129
8-Ethoxyoct-3-yne
CID 134856042
Pentyl tert-pentyl ether
CID 54156519
3-(1,1-Dimethylethoxy)-1-hexyne
CID 10997331
1-[(2-Methylpropan-2-yl)oxy]oct-3-yne
CID 85536045
1,10-Diethoxy-5-decyne
CID 129802325
7-Butoxy-5-undecyne
CID 129808547
Dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane
CID 134890676
Lithium 3-[(2-methylpropan-2-yl)oxy]hex-1-yne
CID 10997330
2-Methoxy-2-methyloct-3-yne
CID 13234814

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]dec-5-yne?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]dec-5-yne (CID 638109) is 1-[(2-methylpropan-2-yl)oxy]dec-5-yne.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]dec-5-yne?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]dec-5-yne is CCCCC#CCCCCOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]dec-5-yne?
The InChIKey is NKDNMDGICDKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-7-8-9-10-11-12-13-15-14(2,3)4/h5-7,10-13H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]dec-5-yne?
1-[(2-methylpropan-2-yl)oxy]dec-5-yne has a molecular weight of 210.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]dec-5-yne is sourced from PubChem (CID 638109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).