2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol

C15H28O2 — CID 170527852

IUPAC2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
SMILESCCC(CC)C1CCC2CCCC(O)C2C1O
InChIInChI=1S/C15H28O2/c1-3-10(4-2)12-9-8-11-6-5-7-13(16)14(11)15(12)17/h10-17H,3-9H2,1-2H3
InChIKeyYVTKLGUBTZPMRK-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.97
Rot. Bonds3

About 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol

2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol (PubChem CID 170527852) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol.

Molecular Properties

Compound Name2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
PubChem CID170527852
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
SMILESCCC(CC)C1CCC2CCCC(O)C2C1O
InChIInChI=1S/C15H28O2/c1-3-10(4-2)12-9-8-11-6-5-7-13(16)14(11)15(12)17/h10-17H,3-9H2,1-2H3
InChIKeyYVTKLGUBTZPMRK-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol with MolForge

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Related Compounds

(2R)-2,7-di(pentan-3-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527872
(2S,7R)-7-hexan-3-yl-2-pentan-3-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527310
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170528430
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
9-pentan-3-ylbicyclo[3.3.1]nonane
CID 18442189
trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
CID 101119918
(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527722
(2R)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
2-butan-2-ylcycloheptan-1-ol
CID 23148884
2-pentan-3-ylbicyclo[3.2.1]octane
CID 90865364
2-butan-2-yl-5-cyclopentylcyclopentan-1-ol
CID 22937274

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The IUPAC name of 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol (CID 170527852) is 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol.
What is the SMILES notation for 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The canonical SMILES for 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol is CCC(CC)C1CCC2CCCC(O)C2C1O.
What is the InChIKey of 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The InChIKey is YVTKLGUBTZPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-10(4-2)12-9-8-11-6-5-7-13(16)14(11)15(12)17/h10-17H,3-9H2,1-2H3.
What are the key properties of 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol has a molecular weight of 240.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol is sourced from PubChem (CID 170527852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).