(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane

C9H18O2 — CID 52951885

IUPAC(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane
SMILESCC[C@H]1OC(C(C)C)O[C@@H]1C
InChIInChI=1S/C9H18O2/c1-5-8-7(4)10-9(11-8)6(2)3/h6-9H,5H2,1-4H3/t7-,8-,9?/m1/s1
InChIKeyJCMYCHKAJWEBQB-ZAZKALAHSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds2

About (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane

(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 52951885) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane
PubChem CID52951885
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane
SMILESCC[C@H]1OC(C(C)C)O[C@@H]1C
InChIInChI=1S/C9H18O2/c1-5-8-7(4)10-9(11-8)6(2)3/h6-9H,5H2,1-4H3/t7-,8-,9?/m1/s1
InChIKeyJCMYCHKAJWEBQB-ZAZKALAHSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-pentyl-1,3-dioxolane
CID 15336
4-Methyl-2-propyl-1,3-dioxolane
CID 98218
2-Isobutyl-4-methyl-1,3-dioxolane
CID 86733
Valeraldehyde propyleneglycol acetal
CID 156273
4-Methyl-2-(1-methylethyl)-1,3-dioxolane
CID 98461
1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
Hexanal butane-2,3-diol acetal
CID 11084346
2,4-Dimethyl-2-propyl-1,3-dioxolane
CID 22737
4,5-Dimethyl-2-propyl-1,3-dioxolane
CID 252509
trans-(2R/S)-2,4-diethyl-2,5-dimethyl-1,3-dioxolane
CID 52951881
rel-(2R/S,4S,5S)-4-ethyl-5-methyl-2-(1-methylethyl)-1,3-dioxolane
CID 52951882
1,3-Dioxolane, 2-(1-methylbutyl)-
CID 86517

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane (CID 52951885) is (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane is CC[C@H]1OC(C(C)C)O[C@@H]1C.
What is the InChIKey of (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is JCMYCHKAJWEBQB-ZAZKALAHSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-8-7(4)10-9(11-8)6(2)3/h6-9H,5H2,1-4H3/t7-,8-,9?/m1/s1.
What are the key properties of (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
(4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 52951885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).