(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol

C11H18O3 — CID 130694780

IUPAC(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
SMILESC[C@H](C#CCO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h10-12H,2-3,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyOTXVHPWGQGQEHE-NFJWQWPMSA-N
MW198.26 g/mol
LogP1.16
Rot. Bonds3

About (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol

(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol (PubChem CID 130694780) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol.

Molecular Properties

Compound Name(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
PubChem CID130694780
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol
SMILESC[C@H](C#CCO)COC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h10-12H,2-3,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyOTXVHPWGQGQEHE-NFJWQWPMSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol?
The IUPAC name of (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol (CID 130694780) is (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol.
What is the SMILES notation for (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol?
The canonical SMILES for (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol is C[C@H](C#CCO)COC1CCCCO1.
What is the InChIKey of (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol?
The InChIKey is OTXVHPWGQGQEHE-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h10-12H,2-3,6-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol?
(4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-5-(oxan-2-yloxy)pent-2-yn-1-ol is sourced from PubChem (CID 130694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).