(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

C19H38O4 — CID 14609990

IUPAC(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)CCCC(C)CCCC1(C)O[C@H]([C@@H](C)O)[C@@H]([C@@H](C)O)O1
InChIInChI=1S/C19H38O4/c1-13(2)9-7-10-14(3)11-8-12-19(6)22-17(15(4)20)18(23-19)16(5)21/h13-18,20-21H,7-12H2,1-6H3/t14?,15-,16-,17-,18-/m1/s1
InChIKeyVWFGBMFJJPHJPW-BGOAJKNASA-N
MW330.51 g/mol
LogP3.88
Rot. Bonds10

About (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 14609990) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID14609990
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC(C)CCCC(C)CCCC1(C)O[C@H]([C@@H](C)O)[C@@H]([C@@H](C)O)O1
InChIInChI=1S/C19H38O4/c1-13(2)9-7-10-14(3)11-8-12-19(6)22-17(15(4)20)18(23-19)16(5)21/h13-18,20-21H,7-12H2,1-6H3/t14?,15-,16-,17-,18-/m1/s1
InChIKeyVWFGBMFJJPHJPW-BGOAJKNASA-N
XLogP3.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol with MolForge

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Related Compounds

[3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
CID 59079086
2-(4,8-dimethylnonyl)-2,5,5-trimethyl-1,3-dioxane
CID 90238889
(4R,5R)-4,5-bis[(1R)-1,2-bis(phenylmethoxy)ethyl]-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolane
CID 14609984
(2R)-2-methyl-2-(4,8,12-trimethyltridecyl)oxirane
CID 11022381
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
2-(8,12-dimethyl-4-propan-2-yltridecyl)-2,5,5-trimethyl-1,3-dioxane
CID 135266796
[(2S,3S)-3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]oxiran-2-yl]methyl acetate
CID 162941072
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7-dimethyloctan-1-ol
CID 7792
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
2-hydroxy-3,7,11,15-tetramethylhexadecanal
CID 91588930
2,2-dimethyl-4-(2,6,10,14-tetramethylpentadecyl)-1,3-dioxan-5-amine
CID 18996050

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 14609990) is (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is CC(C)CCCC(C)CCCC1(C)O[C@H]([C@@H](C)O)[C@@H]([C@@H](C)O)O1.
What is the InChIKey of (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is VWFGBMFJJPHJPW-BGOAJKNASA-N. The full InChI is InChI=1S/C19H38O4/c1-13(2)9-7-10-14(3)11-8-12-19(6)22-17(15(4)20)18(23-19)16(5)21/h13-18,20-21H,7-12H2,1-6H3/t14?,15-,16-,17-,18-/m1/s1.
What are the key properties of (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
(1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 330.51 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(4R,5R)-2-(4,8-dimethylnonyl)-5-[(1R)-1-hydroxyethyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 14609990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).