1-cyclopentyl-4-(oxan-2-yl)butan-2-ol

C14H26O2 — CID 115789825

IUPAC1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
SMILESOC(CCC1CCCCO1)CC1CCCC1
InChIInChI=1S/C14H26O2/c15-13(11-12-5-1-2-6-12)8-9-14-7-3-4-10-16-14/h12-15H,1-11H2
InChIKeyYIQYANOIFVRKSK-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol

1-cyclopentyl-4-(oxan-2-yl)butan-2-ol (PubChem CID 115789825) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
PubChem CID115789825
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
SMILESOC(CCC1CCCCO1)CC1CCCC1
InChIInChI=1S/C14H26O2/c15-13(11-12-5-1-2-6-12)8-9-14-7-3-4-10-16-14/h12-15H,1-11H2
InChIKeyYIQYANOIFVRKSK-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-(oxan-2-yl)oct-7-yn-3-ol
CID 115831796
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
CID 114474030
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
CID 114982933
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol?
The IUPAC name of 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol (CID 115789825) is 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol?
The canonical SMILES for 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol is OC(CCC1CCCCO1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol?
The InChIKey is YIQYANOIFVRKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c15-13(11-12-5-1-2-6-12)8-9-14-7-3-4-10-16-14/h12-15H,1-11H2.
What are the key properties of 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol?
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(oxan-2-yl)butan-2-ol is sourced from PubChem (CID 115789825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).