(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane

C18H26O2 — CID 102007921

IUPAC(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
SMILESC[C@@]1(C[C@@H]2CCC[C@@H](Cc3ccccc3)O2)CCCO1
InChIInChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKOZSBHZZGOCHSE-BZSNNMDCSA-N
MW274.40 g/mol
LogP4.13
Rot. Bonds4

About (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane

(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane (PubChem CID 102007921) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane.

Molecular Properties

Compound Name(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
PubChem CID102007921
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
SMILESC[C@@]1(C[C@@H]2CCC[C@@H](Cc3ccccc3)O2)CCCO1
InChIInChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18-/m0/s1
InChIKeyKOZSBHZZGOCHSE-BZSNNMDCSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-2-[(5,5-dideuterio-2-methyloxolan-2-yl)methyl]-6-[(2,3,4,5,6-pentadeuteriophenyl)methyl]oxane
CID 10731551
2-benzyl-5-ethyloxolane
CID 134971012
2-benzyloxepane
CID 14272917
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
2-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
(4S,6R)-4-benzyl-6-(iodomethyl)-2,2-dimethyl-1,3-dioxane
CID 11727685
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
2-[(3-methoxyphenyl)methyl]-1,6-dioxaspiro[4.4]nonane
CID 10753076
acetamide;acetylene;(2S)-2-benzyloxolane;ethane
CID 144598785
(2S,6R)-2-benzyl-6-(methoxymethyl)-3,6-dihydro-2H-pyran
CID 134930571
2-methyl-2-[(2-methylphenyl)methoxymethyl]oxolane
CID 70569993

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane?
The IUPAC name of (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane (CID 102007921) is (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane.
What is the SMILES notation for (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane?
The canonical SMILES for (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane is C[C@@]1(C[C@@H]2CCC[C@@H](Cc3ccccc3)O2)CCCO1.
What is the InChIKey of (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane?
The InChIKey is KOZSBHZZGOCHSE-BZSNNMDCSA-N. The full InChI is InChI=1S/C18H26O2/c1-18(11-6-12-19-18)14-17-10-5-9-16(20-17)13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-14H2,1H3/t16-,17-,18-/m0/s1.
What are the key properties of (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane?
(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane has a molecular weight of 274.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane is sourced from PubChem (CID 102007921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).