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

C9H18O2 — CID 52951882

IUPAC(4S,5S)-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?/m0/s1
InChIKeyJCMYCHKAJWEBQB-JVIMKECRSA-N
MW158.24 g/mol
LogP2.18
Rot. Bonds2

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

(4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 52951882) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane
PubChem CID52951882
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S,5S)-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?/m0/s1
InChIKeyJCMYCHKAJWEBQB-JVIMKECRSA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane (CID 52951882) is (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-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 (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is JCMYCHKAJWEBQB-JVIMKECRSA-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?/m0/s1.
What are the key properties of (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane?
(4S,5S)-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 (4S,5S)-4-ethyl-5-methyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 52951882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).