4-(5,5-dimethyloxolan-2-yl)butan-1-ol

C10H20O2 — CID 116524331

IUPAC4-(5,5-dimethyloxolan-2-yl)butan-1-ol
SMILESCC1(C)CCC(CCCCO)O1
InChIInChI=1S/C10H20O2/c1-10(2)7-6-9(12-10)5-3-4-8-11/h9,11H,3-8H2,1-2H3
InChIKeyICDPXHBZYVFIBP-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.11
Rot. Bonds4

About 4-(5,5-dimethyloxolan-2-yl)butan-1-ol

4-(5,5-dimethyloxolan-2-yl)butan-1-ol (PubChem CID 116524331) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(5,5-dimethyloxolan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(5,5-dimethyloxolan-2-yl)butan-1-ol
PubChem CID116524331
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(5,5-dimethyloxolan-2-yl)butan-1-ol
SMILESCC1(C)CCC(CCCCO)O1
InChIInChI=1S/C10H20O2/c1-10(2)7-6-9(12-10)5-3-4-8-11/h9,11H,3-8H2,1-2H3
InChIKeyICDPXHBZYVFIBP-UHFFFAOYSA-N
XLogP2.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
CID 116524272
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
1-(5,5-dimethyloxolan-2-yl)pentan-3-one
CID 116522536
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyloxolan-2-yl)butan-1-ol?
The IUPAC name of 4-(5,5-dimethyloxolan-2-yl)butan-1-ol (CID 116524331) is 4-(5,5-dimethyloxolan-2-yl)butan-1-ol.
What is the SMILES notation for 4-(5,5-dimethyloxolan-2-yl)butan-1-ol?
The canonical SMILES for 4-(5,5-dimethyloxolan-2-yl)butan-1-ol is CC1(C)CCC(CCCCO)O1.
What is the InChIKey of 4-(5,5-dimethyloxolan-2-yl)butan-1-ol?
The InChIKey is ICDPXHBZYVFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2)7-6-9(12-10)5-3-4-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-(5,5-dimethyloxolan-2-yl)butan-1-ol?
4-(5,5-dimethyloxolan-2-yl)butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyloxolan-2-yl)butan-1-ol is sourced from PubChem (CID 116524331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).