(2S,4R)-2-methyl-4-propyl-1,3-dioxolane

C7H14O2 — CID 131847771

IUPAC(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
SMILESCCC[C@@H]1CO[C@H](C)O1
InChIInChI=1S/C7H14O2/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGFGKEVLETNGWFW-NKWVEPMBSA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds2

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

(2S,4R)-2-methyl-4-propyl-1,3-dioxolane (PubChem CID 131847771) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S,4R)-2-methyl-4-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
PubChem CID131847771
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2S,4R)-2-methyl-4-propyl-1,3-dioxolane
SMILESCCC[C@@H]1CO[C@H](C)O1
InChIInChI=1S/C7H14O2/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyGFGKEVLETNGWFW-NKWVEPMBSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-pentyl-1,3-dioxolane
CID 15336
2,4-Dimethyl-1,3-dioxolane
CID 102993
4-Methyl-2-propyl-1,3-dioxolane
CID 98218
2-Ethyl-4-methyl-1,3-dioxolane
CID 92210
2,4,5-Trimethyl-1,3-dioxolane
CID 102967
4-Ethyl-1,3-dioxolane
CID 121755
Valeraldehyde propyleneglycol acetal
CID 156273
4-Methyl-2-(1-methylethyl)-1,3-dioxolane
CID 98461
4-Butyldioxolane
CID 126446
2-Propyl-1,3-dioxolane
CID 179832
2-Butyl-1,3-dioxolane
CID 521146
Hexanal butane-2,3-diol acetal
CID 11084346

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-methyl-4-propyl-1,3-dioxolane?
The IUPAC name of (2S,4R)-2-methyl-4-propyl-1,3-dioxolane (CID 131847771) is (2S,4R)-2-methyl-4-propyl-1,3-dioxolane.
What is the SMILES notation for (2S,4R)-2-methyl-4-propyl-1,3-dioxolane?
The canonical SMILES for (2S,4R)-2-methyl-4-propyl-1,3-dioxolane is CCC[C@@H]1CO[C@H](C)O1.
What is the InChIKey of (2S,4R)-2-methyl-4-propyl-1,3-dioxolane?
The InChIKey is GFGKEVLETNGWFW-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7-5-8-6(2)9-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S,4R)-2-methyl-4-propyl-1,3-dioxolane?
(2S,4R)-2-methyl-4-propyl-1,3-dioxolane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-methyl-4-propyl-1,3-dioxolane is sourced from PubChem (CID 131847771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).