3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol

C9H18O3 — CID 14335626

IUPAC3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol
SMILESCC1(CCCO)COC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-8(2)11-7-9(3,12-8)5-4-6-10/h10H,4-7H2,1-3H3
InChIKeyZWFCLXDYXYMEFX-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds3

About 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol

3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol (PubChem CID 14335626) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol
PubChem CID14335626
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol
SMILESCC1(CCCO)COC(C)(C)O1
InChIInChI=1S/C9H18O3/c1-8(2)11-7-9(3,12-8)5-4-6-10/h10H,4-7H2,1-3H3
InChIKeyZWFCLXDYXYMEFX-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
3-[(5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxan-5-yl]propan-1-ol
CID 10943893
2-methyl-2-[10-(2-methyloxiran-2-yl)decyl]oxirane
CID 59339950
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
N,N-dimethyl-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanamine;ethane
CID 163386010
5-(3-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one
CID 117158906
2-[2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 10490899
2-methyl-2-pentyloxirane
CID 559073
(2S)-2-(3-bromopropyl)-2-methyloxirane
CID 102064585
[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 14190097
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol?
The IUPAC name of 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol (CID 14335626) is 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol?
The canonical SMILES for 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol is CC1(CCCO)COC(C)(C)O1.
What is the InChIKey of 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol?
The InChIKey is ZWFCLXDYXYMEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2)11-7-9(3,12-8)5-4-6-10/h10H,4-7H2,1-3H3.
What are the key properties of 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol?
3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,4-trimethyl-1,3-dioxolan-4-yl)propan-1-ol is sourced from PubChem (CID 14335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).