(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane

C15H30O3 — CID 59958290

IUPAC(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane
SMILESCOC1[C@@H](C)C(CC(OC)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C15H30O3/c1-10-9-18-12(11(2)14(10)17-7)8-13(16-6)15(3,4)5/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13?,14?/m0/s1
InChIKeyWZEBFCMXGHCZSC-ORPHDTIWSA-N
MW258.40 g/mol
LogP3.12
Rot. Bonds4

About (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane

(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane (PubChem CID 59958290) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane.

Molecular Properties

Compound Name(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane
PubChem CID59958290
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane
SMILESCOC1[C@@H](C)C(CC(OC)C(C)(C)C)OC[C@@H]1C
InChIInChI=1S/C15H30O3/c1-10-9-18-12(11(2)14(10)17-7)8-13(16-6)15(3,4)5/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13?,14?/m0/s1
InChIKeyWZEBFCMXGHCZSC-ORPHDTIWSA-N
XLogP3.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 101413103
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CID 132040256
(4R)-2-[(4-fluorooxan-4-yl)methyl]-4-methyloxane
CID 153270904
4-[(2S,5R,6S)-5-methyl-6-pentan-3-yloxan-2-yl]butan-1-ol
CID 11139313
4-Diethyl-6-propyltetrahydropyran
CID 129806361
2-Propyl-4,5,5-trimethyltetrahydropyran
CID 129856987
12,13-Dimethoxy-10-(methoxymethyl)-3,11-dioxabicyclo[7.2.2]tridecane
CID 20665929
6-Tert-butyl-4-methoxy-2,3,3,4,5-pentamethyloxane
CID 20675641
2-Tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
6-Tert-butyl-4-methoxy-2,3,3,4-tetramethyloxane
CID 20711558
1-Tert-butyl-3,5-dimethoxycyclohexane
CID 21063983
2-(2,2-Dimethylbutyl)oxane
CID 21304391

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane?
The IUPAC name of (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane (CID 59958290) is (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane.
What is the SMILES notation for (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane?
The canonical SMILES for (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane is COC1[C@@H](C)C(CC(OC)C(C)(C)C)OC[C@@H]1C.
What is the InChIKey of (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane?
The InChIKey is WZEBFCMXGHCZSC-ORPHDTIWSA-N. The full InChI is InChI=1S/C15H30O3/c1-10-9-18-12(11(2)14(10)17-7)8-13(16-6)15(3,4)5/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13?,14?/m0/s1.
What are the key properties of (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane?
(3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane has a molecular weight of 258.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-4-methoxy-2-(2-methoxy-3,3-dimethylbutyl)-3,5-dimethyloxane is sourced from PubChem (CID 59958290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).