5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol

C9H18O3 — CID 560050

IUPAC5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1(CCCCCO)OCCO1
InChIInChI=1S/C9H18O3/c1-9(11-7-8-12-9)5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyAKFDGKDNHFXWNZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds5

About 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol

5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol (PubChem CID 560050) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol
PubChem CID560050
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1(CCCCCO)OCCO1
InChIInChI=1S/C9H18O3/c1-9(11-7-8-12-9)5-3-2-4-6-10/h10H,2-8H2,1H3
InChIKeyAKFDGKDNHFXWNZ-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol?
The IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol (CID 560050) is 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol?
The canonical SMILES for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol is CC1(CCCCCO)OCCO1.
What is the InChIKey of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol?
The InChIKey is AKFDGKDNHFXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-9(11-7-8-12-9)5-3-2-4-6-10/h10H,2-8H2,1H3.
What are the key properties of 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol?
5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-dioxolan-2-yl)pentan-1-ol is sourced from PubChem (CID 560050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).