(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol

C8H16O2 — CID 124526820

IUPAC(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
SMILESC[C@@H]1C[C@H]([C@H](C)O)CCO1
InChIInChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyCJTODTMIXYJPPD-GJMOJQLCSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds1

About (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol

(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol (PubChem CID 124526820) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
PubChem CID124526820
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
SMILESC[C@@H]1C[C@H]([C@H](C)O)CCO1
InChIInChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyCJTODTMIXYJPPD-GJMOJQLCSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
1-(2-methyloxan-4-yl)ethanamine
CID 66437855
methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
CID 66290660
1-[2-(trifluoromethyl)oxan-4-yl]ethanol
CID 130546360
4-(1-chloropropyl)-2-methyloxane
CID 79308102
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
2-methyloxetane;propan-2-amine
CID 18626824
(2-methyloxan-4-yl)phosphane
CID 156867096
1-(3-methylcyclopentyl)ethanol
CID 12501270
(4R)-2,4-dimethyloxane
CID 129313541
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol (CID 124526820) is (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol is C[C@@H]1C[C@H]([C@H](C)O)CCO1.
What is the InChIKey of (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol?
The InChIKey is CJTODTMIXYJPPD-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-5-8(7(2)9)3-4-10-6/h6-9H,3-5H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol?
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol is sourced from PubChem (CID 124526820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).