(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol

C14H28O3 — CID 10681760

IUPAC(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol
SMILESC[C@@H](CO)C[C@H](C)C[C@@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C14H28O3/c1-10(6-11(2)8-15)7-13-12(3)9-16-14(4,5)17-13/h10-13,15H,6-9H2,1-5H3/t10-,11+,12+,13-/m0/s1
InChIKeyMKRHRWGUNFSPOW-LOWDOPEQSA-N
MW244.37 g/mol
LogP2.82
Rot. Bonds5

About (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol

(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol (PubChem CID 10681760) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol
PubChem CID10681760
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol
SMILESC[C@@H](CO)C[C@H](C)C[C@@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C14H28O3/c1-10(6-11(2)8-15)7-13-12(3)9-16-14(4,5)17-13/h10-13,15H,6-9H2,1-5H3/t10-,11+,12+,13-/m0/s1
InChIKeyMKRHRWGUNFSPOW-LOWDOPEQSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol with MolForge

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Related Compounds

[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
CID 56946557
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine
CID 18996050
[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
CID 134863672
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
CID 14061487
(2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 130148389
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
(5R)-2,2,5-trimethyl-4-[(2S)-4-(oxiran-2-yl)butan-2-yl]-1,3-dioxane
CID 134878956
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol?
The IUPAC name of (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol (CID 10681760) is (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol?
The canonical SMILES for (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol is C[C@@H](CO)C[C@H](C)C[C@@H]1OC(C)(C)OC[C@H]1C.
What is the InChIKey of (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol?
The InChIKey is MKRHRWGUNFSPOW-LOWDOPEQSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(6-11(2)8-15)7-13-12(3)9-16-14(4,5)17-13/h10-13,15H,6-9H2,1-5H3/t10-,11+,12+,13-/m0/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol?
(2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-5-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-1-ol is sourced from PubChem (CID 10681760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).