1-cyclopropyl-3-(oxan-4-yl)propan-1-ol

C11H20O2 — CID 63357856

IUPAC1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
SMILESOC(CCC1CCOCC1)C1CC1
InChIInChI=1S/C11H20O2/c12-11(10-2-3-10)4-1-9-5-7-13-8-6-9/h9-12H,1-8H2
InChIKeyUZAMDZJDXOLJCF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds4

About 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol

1-cyclopropyl-3-(oxan-4-yl)propan-1-ol (PubChem CID 63357856) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
PubChem CID63357856
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
SMILESOC(CCC1CCOCC1)C1CC1
InChIInChI=1S/C11H20O2/c12-11(10-2-3-10)4-1-9-5-7-13-8-6-9/h9-12H,1-8H2
InChIKeyUZAMDZJDXOLJCF-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
1-cyclopropyl-3-(4-methylcyclohexyl)propan-1-ol
CID 64775324
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanol
CID 115789621
1-(oxan-4-yl)pent-4-yn-1-ol
CID 63901173
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
3,3-dimethyl-1-(oxan-4-yl)butan-1-ol
CID 63937877
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
1-(oxan-4-yl)pentan-3-amine
CID 62386440
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol (CID 63357856) is 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol is OC(CCC1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol?
The InChIKey is UZAMDZJDXOLJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c12-11(10-2-3-10)4-1-9-5-7-13-8-6-9/h9-12H,1-8H2.
What are the key properties of 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol?
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-4-yl)propan-1-ol is sourced from PubChem (CID 63357856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).