(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane

C9H18O2 — CID 58254236

IUPAC(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
SMILESCCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-5-6-9(4)7-10-8(2,3)11-9/h5-7H2,1-4H3/t9-/m0/s1
InChIKeyASFMILYJIJQSJU-VIFPVBQESA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds2

About (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane

(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane (PubChem CID 58254236) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
PubChem CID58254236
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
SMILESCCC[C@@]1(C)COC(C)(C)O1
InChIInChI=1S/C9H18O2/c1-5-6-9(4)7-10-8(2,3)11-9/h5-7H2,1-4H3/t9-/m0/s1
InChIKeyASFMILYJIJQSJU-VIFPVBQESA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol
CID 14335626
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
CID 163386010
5-(iodomethyl)-2,2-dimethyl-5-propyl-1,3-dioxane
CID 19373320
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
2-[2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 10490899
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
2-methyl-2-pentyloxirane
CID 559073
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
4-bromo-2,2,4-trimethyl-1,3-dioxolane
CID 163687998

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane?
The IUPAC name of (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane (CID 58254236) is (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane?
The canonical SMILES for (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane is CCC[C@@]1(C)COC(C)(C)O1.
What is the InChIKey of (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane?
The InChIKey is ASFMILYJIJQSJU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-9(4)7-10-8(2,3)11-9/h5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane?
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane is sourced from PubChem (CID 58254236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).