8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol

C15H28O — CID 144517272

IUPAC8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
SMILESCCCC(C)C1C(CC)C2CC(O)CCC21
InChIInChI=1S/C15H28O/c1-4-6-10(3)15-12(5-2)14-9-11(16)7-8-13(14)15/h10-16H,4-9H2,1-3H3
InChIKeyPFULZCSYJGLCDX-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.86
Rot. Bonds4

About 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol

8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol (PubChem CID 144517272) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol.

Molecular Properties

Compound Name8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
PubChem CID144517272
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol
SMILESCCCC(C)C1C(CC)C2CC(O)CCC21
InChIInChI=1S/C15H28O/c1-4-6-10(3)15-12(5-2)14-9-11(16)7-8-13(14)15/h10-16H,4-9H2,1-3H3
InChIKeyPFULZCSYJGLCDX-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
3-ethyl-4-methyl-7-pentan-2-yltricyclo[4.3.0.02,5]nonane
CID 123860685
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
2-(1-hydroxybutyl)oxan-4-ol
CID 123732929
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
(3R,10S,13R)-10,13-dimethyl-17-pentan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 70998507
(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 151305024
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139468011
(7R)-4,7-dimethyl-2-pentan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 139467916
2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol?
The IUPAC name of 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol (CID 144517272) is 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol.
What is the SMILES notation for 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol?
The canonical SMILES for 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol is CCCC(C)C1C(CC)C2CC(O)CCC21.
What is the InChIKey of 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol?
The InChIKey is PFULZCSYJGLCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-6-10(3)15-12(5-2)14-9-11(16)7-8-13(14)15/h10-16H,4-9H2,1-3H3.
What are the key properties of 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol?
8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol has a molecular weight of 224.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-pentan-2-ylbicyclo[4.2.0]octan-3-ol is sourced from PubChem (CID 144517272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).