(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol

C18H34O4 — CID 146570273

IUPAC(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
SMILESCOC1COCCC1C(C)CC1OCC[C@@H](C(C)(C)C)[C@H]1O
InChIInChI=1S/C18H34O4/c1-12(13-6-8-21-11-16(13)20-5)10-15-17(19)14(7-9-22-15)18(2,3)4/h12-17,19H,6-11H2,1-5H3/t12?,13?,14-,15?,16?,17-/m1/s1
InChIKeyAYDQAZCOMXQACE-QXEBHSJCSA-N
MW314.47 g/mol
LogP2.88
Rot. Bonds4

About (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol

(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol (PubChem CID 146570273) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
PubChem CID146570273
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
SMILESCOC1COCCC1C(C)CC1OCC[C@@H](C(C)(C)C)[C@H]1O
InChIInChI=1S/C18H34O4/c1-12(13-6-8-21-11-16(13)20-5)10-15-17(19)14(7-9-22-15)18(2,3)4/h12-17,19H,6-11H2,1-5H3/t12?,13?,14-,15?,16?,17-/m1/s1
InChIKeyAYDQAZCOMXQACE-QXEBHSJCSA-N
XLogP2.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyoxan-4-yl)propan-1-ol
CID 130723846
1-(3-methoxyoxan-4-yl)-2-methylpropan-1-amine
CID 131101922
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
2-[[[3-hydroxy-2-[[(3-methoxyoxan-4-yl)-methylamino]methyl]oxan-4-yl]-methylamino]methyl]-4-(methylamino)oxan-3-ol
CID 170108368
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
3-(3-hydroxy-2-methylpropyl)oxan-4-ol
CID 106471163
3-tert-butyl-2-prop-2-enyloxolane
CID 15502844
4-chloro-3-methoxyoxane
CID 130632423
ethane;3-methoxy-4-methyloxane
CID 143656491
(3R)-3-[(2R,3S,4R)-3-hydroxy-2-(methoxymethyl)oxan-4-yl]oxybutan-2-one
CID 144998853
(2S,3S,4R)-4-methoxy-2-methyloxan-3-ol
CID 66553643

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol?
The IUPAC name of (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol (CID 146570273) is (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol.
What is the SMILES notation for (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol?
The canonical SMILES for (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol is COC1COCCC1C(C)CC1OCC[C@@H](C(C)(C)C)[C@H]1O.
What is the InChIKey of (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol?
The InChIKey is AYDQAZCOMXQACE-QXEBHSJCSA-N. The full InChI is InChI=1S/C18H34O4/c1-12(13-6-8-21-11-16(13)20-5)10-15-17(19)14(7-9-22-15)18(2,3)4/h12-17,19H,6-11H2,1-5H3/t12?,13?,14-,15?,16?,17-/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol?
(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol has a molecular weight of 314.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol is sourced from PubChem (CID 146570273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).