(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol

C14H30O4 — CID 160617536

IUPAC(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
SMILESCC(C)OC[C@H](O[C@@H](C)C(C)O)C(C)OC(C)C
InChIInChI=1S/C14H30O4/c1-9(2)16-8-14(13(7)17-10(3)4)18-12(6)11(5)15/h9-15H,8H2,1-7H3/t11?,12-,13?,14-/m0/s1
InChIKeyHOWDGFCGJZJYIY-YIOUJQMASA-N
MW262.39 g/mol
LogP2.38
Rot. Bonds9

About (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol

(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol (PubChem CID 160617536) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol.

Molecular Properties

Compound Name(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
PubChem CID160617536
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol
SMILESCC(C)OC[C@H](O[C@@H](C)C(C)O)C(C)OC(C)C
InChIInChI=1S/C14H30O4/c1-9(2)16-8-14(13(7)17-10(3)4)18-12(6)11(5)15/h9-15H,8H2,1-7H3/t11?,12-,13?,14-/m0/s1
InChIKeyHOWDGFCGJZJYIY-YIOUJQMASA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-1-pentan-3-yloxybutan-2-yl)oxypropane-1,1-diol
CID 138744605
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
CID 174717239
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
4-propan-2-yloxy-2-(1-propan-2-yloxyethyl)hexane-1,5-diol
CID 139459670
3-(2-amino-1-cyclopropylethoxy)butan-2-ol
CID 103377154
(2R,3S)-1-iodo-1-methoxy-2-methyl-3,4-di(propan-2-yloxy)butane
CID 146498069
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
3,4-dimethyl-1-propan-2-yloxypentan-2-ol
CID 115821423

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol?
The IUPAC name of (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol (CID 160617536) is (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol.
What is the SMILES notation for (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol?
The canonical SMILES for (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol is CC(C)OC[C@H](O[C@@H](C)C(C)O)C(C)OC(C)C.
What is the InChIKey of (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol?
The InChIKey is HOWDGFCGJZJYIY-YIOUJQMASA-N. The full InChI is InChI=1S/C14H30O4/c1-9(2)16-8-14(13(7)17-10(3)4)18-12(6)11(5)15/h9-15H,8H2,1-7H3/t11?,12-,13?,14-/m0/s1.
What are the key properties of (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol?
(3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-1,3-di(propan-2-yloxy)butan-2-yl]oxybutan-2-ol is sourced from PubChem (CID 160617536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).