dicyclopentyl(deuterio)methanol

C11H20O — CID 159152479

IUPACdicyclopentyl(deuterio)methanol
SMILES[2H]C(O)(C1CCCC1)C1CCCC1
InChIInChI=1S/C11H20O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h9-12H,1-8H2/i11D
InChIKeyKJMCBUHSRCZHHX-WORMITQPSA-N
MW169.29 g/mol
LogP2.73
Rot. Bonds2

About dicyclopentyl(deuterio)methanol

dicyclopentyl(deuterio)methanol (PubChem CID 159152479) has the molecular formula C11H20O and a molecular weight of 169.29 g/mol. Its IUPAC name is dicyclopentyl(deuterio)methanol.

Molecular Properties

Compound Namedicyclopentyl(deuterio)methanol
PubChem CID159152479
Molecular FormulaC11H20O
Molecular Weight169.29 g/mol
Exact Mass169.16
IUPAC Namedicyclopentyl(deuterio)methanol
SMILES[2H]C(O)(C1CCCC1)C1CCCC1
InChIInChI=1S/C11H20O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h9-12H,1-8H2/i11D
InChIKeyKJMCBUHSRCZHHX-WORMITQPSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentyl-1-deuterioethanol
CID 157323248
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
cyclooctyl(cyclopropyl)methanol
CID 80603317
2-deuteriopropan-2-ylcyclohexane
CID 153320252
CID 59303636
CID 59303636
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
3-cyclododecylbutan-2-ol
CID 10444334
3-cyclobutylbutan-2-ol
CID 54399039
1-cycloheptylpropane-1,2-diol
CID 103452573
(3S)-3-cyclopentyl-3-deuteriobutan-2-one
CID 155929625
1-cyclohexyl-2,2-difluoroethanol;hydrochloride
CID 162337180

Frequently Asked Questions

What is the IUPAC name of dicyclopentyl(deuterio)methanol?
The IUPAC name of dicyclopentyl(deuterio)methanol (CID 159152479) is dicyclopentyl(deuterio)methanol.
What is the SMILES notation for dicyclopentyl(deuterio)methanol?
The canonical SMILES for dicyclopentyl(deuterio)methanol is [2H]C(O)(C1CCCC1)C1CCCC1.
What is the InChIKey of dicyclopentyl(deuterio)methanol?
The InChIKey is KJMCBUHSRCZHHX-WORMITQPSA-N. The full InChI is InChI=1S/C11H20O/c12-11(9-5-1-2-6-9)10-7-3-4-8-10/h9-12H,1-8H2/i11D.
What are the key properties of dicyclopentyl(deuterio)methanol?
dicyclopentyl(deuterio)methanol has a molecular weight of 169.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopentyl(deuterio)methanol is sourced from PubChem (CID 159152479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).