(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane

C16H24O — CID 101398624

IUPAC(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane
SMILESCc1ccccc1[C@H](C)[C@@H]1OC(C)(C)C[C@H]1C
InChIInChI=1S/C16H24O/c1-11-8-6-7-9-14(11)13(3)15-12(2)10-16(4,5)17-15/h6-9,12-13,15H,10H2,1-5H3/t12-,13+,15-/m1/s1
InChIKeyZVZHZWINJIVTMK-VNHYZAJKSA-N
MW232.37 g/mol
LogP4.30
Rot. Bonds2

About (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane

(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane (PubChem CID 101398624) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane.

Molecular Properties

Compound Name(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane
PubChem CID101398624
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane
SMILESCc1ccccc1[C@H](C)[C@@H]1OC(C)(C)C[C@H]1C
InChIInChI=1S/C16H24O/c1-11-8-6-7-9-14(11)13(3)15-12(2)10-16(4,5)17-15/h6-9,12-13,15H,10H2,1-5H3/t12-,13+,15-/m1/s1
InChIKeyZVZHZWINJIVTMK-VNHYZAJKSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane?
The IUPAC name of (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane (CID 101398624) is (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane.
What is the SMILES notation for (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane?
The canonical SMILES for (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane is Cc1ccccc1[C@H](C)[C@@H]1OC(C)(C)C[C@H]1C.
What is the InChIKey of (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane?
The InChIKey is ZVZHZWINJIVTMK-VNHYZAJKSA-N. The full InChI is InChI=1S/C16H24O/c1-11-8-6-7-9-14(11)13(3)15-12(2)10-16(4,5)17-15/h6-9,12-13,15H,10H2,1-5H3/t12-,13+,15-/m1/s1.
What are the key properties of (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane?
(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane has a molecular weight of 232.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2,4-trimethyl-5-[(1S)-1-(2-methylphenyl)ethyl]oxolane is sourced from PubChem (CID 101398624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).