(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol

C8H16O3 — CID 11622376

IUPAC(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6(4-9)7-5-10-8(2,3)11-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZEXONBYTDOABDB-NKWVEPMBSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds2

About (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol

(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (PubChem CID 11622376) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
PubChem CID11622376
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
SMILESC[C@@H](CO)[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6(4-9)7-5-10-8(2,3)11-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZEXONBYTDOABDB-NKWVEPMBSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol (CID 11622376) is (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is C[C@@H](CO)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
The InChIKey is ZEXONBYTDOABDB-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(4-9)7-5-10-8(2,3)11-7/h6-7,9H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol?
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol is sourced from PubChem (CID 11622376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).