3-(3,3-dimethyldioxolan-4-yl)propan-1-ol

C8H16O3 — CID 87498556

IUPAC3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
SMILESCC1(C)OOCC1CCCO
InChIInChI=1S/C8H16O3/c1-8(2)7(4-3-5-9)6-10-11-8/h7,9H,3-6H2,1-2H3
InChIKeyOSCPJZHXVRTIBU-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.12
Rot. Bonds3

About 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol

3-(3,3-dimethyldioxolan-4-yl)propan-1-ol (PubChem CID 87498556) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
PubChem CID87498556
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
SMILESCC1(C)OOCC1CCCO
InChIInChI=1S/C8H16O3/c1-8(2)7(4-3-5-9)6-10-11-8/h7,9H,3-6H2,1-2H3
InChIKeyOSCPJZHXVRTIBU-UHFFFAOYSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol?
The IUPAC name of 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol (CID 87498556) is 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol?
The canonical SMILES for 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol is CC1(C)OOCC1CCCO.
What is the InChIKey of 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol?
The InChIKey is OSCPJZHXVRTIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)7(4-3-5-9)6-10-11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol?
3-(3,3-dimethyldioxolan-4-yl)propan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyldioxolan-4-yl)propan-1-ol is sourced from PubChem (CID 87498556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).