3-(5,5-dimethyloxolan-2-yl)propan-1-ol

C9H18O2 — CID 116523847

IUPAC3-(5,5-dimethyloxolan-2-yl)propan-1-ol
SMILESCC1(C)CCC(CCCO)O1
InChIInChI=1S/C9H18O2/c1-9(2)6-5-8(11-9)4-3-7-10/h8,10H,3-7H2,1-2H3
InChIKeyZPACSISBIUZYCS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds3

About 3-(5,5-dimethyloxolan-2-yl)propan-1-ol

3-(5,5-dimethyloxolan-2-yl)propan-1-ol (PubChem CID 116523847) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(5,5-dimethyloxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,5-dimethyloxolan-2-yl)propan-1-ol
PubChem CID116523847
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-(5,5-dimethyloxolan-2-yl)propan-1-ol
SMILESCC1(C)CCC(CCCO)O1
InChIInChI=1S/C9H18O2/c1-9(2)6-5-8(11-9)4-3-7-10/h8,10H,3-7H2,1-2H3
InChIKeyZPACSISBIUZYCS-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
CID 116523456
4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
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
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
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyloxolan-2-yl)propan-1-ol?
The IUPAC name of 3-(5,5-dimethyloxolan-2-yl)propan-1-ol (CID 116523847) is 3-(5,5-dimethyloxolan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5,5-dimethyloxolan-2-yl)propan-1-ol?
The canonical SMILES for 3-(5,5-dimethyloxolan-2-yl)propan-1-ol is CC1(C)CCC(CCCO)O1.
What is the InChIKey of 3-(5,5-dimethyloxolan-2-yl)propan-1-ol?
The InChIKey is ZPACSISBIUZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2)6-5-8(11-9)4-3-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-(5,5-dimethyloxolan-2-yl)propan-1-ol?
3-(5,5-dimethyloxolan-2-yl)propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyloxolan-2-yl)propan-1-ol is sourced from PubChem (CID 116523847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).