3-(4,4-dimethyloxan-2-yl)propan-1-ol

C10H20O2 — CID 24972538

IUPAC3-(4,4-dimethyloxan-2-yl)propan-1-ol
SMILESCC1(C)CCOC(CCCO)C1
InChIInChI=1S/C10H20O2/c1-10(2)5-7-12-9(8-10)4-3-6-11/h9,11H,3-8H2,1-2H3
InChIKeyCNQGVWBCTLHYKJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

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

3-(4,4-dimethyloxan-2-yl)propan-1-ol (PubChem CID 24972538) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(4,4-dimethyloxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethyloxan-2-yl)propan-1-ol
PubChem CID24972538
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(4,4-dimethyloxan-2-yl)propan-1-ol
SMILESCC1(C)CCOC(CCCO)C1
InChIInChI=1S/C10H20O2/c1-10(2)5-7-12-9(8-10)4-3-6-11/h9,11H,3-8H2,1-2H3
InChIKeyCNQGVWBCTLHYKJ-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyloxan-2-yl)propan-1-ol?
The IUPAC name of 3-(4,4-dimethyloxan-2-yl)propan-1-ol (CID 24972538) is 3-(4,4-dimethyloxan-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4,4-dimethyloxan-2-yl)propan-1-ol?
The canonical SMILES for 3-(4,4-dimethyloxan-2-yl)propan-1-ol is CC1(C)CCOC(CCCO)C1.
What is the InChIKey of 3-(4,4-dimethyloxan-2-yl)propan-1-ol?
The InChIKey is CNQGVWBCTLHYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2)5-7-12-9(8-10)4-3-6-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(4,4-dimethyloxan-2-yl)propan-1-ol?
3-(4,4-dimethyloxan-2-yl)propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyloxan-2-yl)propan-1-ol is sourced from PubChem (CID 24972538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).