1-cyclopentyl-3-(oxan-4-yl)propan-2-ol

C13H24O2 — CID 115789647

IUPAC1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
SMILESOC(CC1CCCC1)CC1CCOCC1
InChIInChI=1S/C13H24O2/c14-13(9-11-3-1-2-4-11)10-12-5-7-15-8-6-12/h11-14H,1-10H2
InChIKeyMKERXFKBCNDXIJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol

1-cyclopentyl-3-(oxan-4-yl)propan-2-ol (PubChem CID 115789647) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
PubChem CID115789647
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
SMILESOC(CC1CCCC1)CC1CCOCC1
InChIInChI=1S/C13H24O2/c14-13(9-11-3-1-2-4-11)10-12-5-7-15-8-6-12/h11-14H,1-10H2
InChIKeyMKERXFKBCNDXIJ-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
CID 79087400
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789574
5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
CID 103090029
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
3,3-dimethyl-1-(oxan-4-yl)butan-2-ol
CID 62606524
1-cyclohexyl-2-(oxan-4-yl)ethanamine
CID 62600303
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
3-methyl-1-(oxan-4-yl)butane-2,3-diol
CID 103448944

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol (CID 115789647) is 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol is OC(CC1CCCC1)CC1CCOCC1.
What is the InChIKey of 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol?
The InChIKey is MKERXFKBCNDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-13(9-11-3-1-2-4-11)10-12-5-7-15-8-6-12/h11-14H,1-10H2.
What are the key properties of 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol?
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 115789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).