(1S,3R)-1-cyclopentylbutane-1,3-diol

C9H18O2 — CID 130757763

IUPAC(1S,3R)-1-cyclopentylbutane-1,3-diol
SMILESC[C@@H](O)C[C@H](O)C1CCCC1
InChIInChI=1S/C9H18O2/c1-7(10)6-9(11)8-4-2-3-5-8/h7-11H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyDLOJUWMSCWTFFJ-APPZFPTMSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds3

About (1S,3R)-1-cyclopentylbutane-1,3-diol

(1S,3R)-1-cyclopentylbutane-1,3-diol (PubChem CID 130757763) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (1S,3R)-1-cyclopentylbutane-1,3-diol.

Molecular Properties

Compound Name(1S,3R)-1-cyclopentylbutane-1,3-diol
PubChem CID130757763
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(1S,3R)-1-cyclopentylbutane-1,3-diol
SMILESC[C@@H](O)C[C@H](O)C1CCCC1
InChIInChI=1S/C9H18O2/c1-7(10)6-9(11)8-4-2-3-5-8/h7-11H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyDLOJUWMSCWTFFJ-APPZFPTMSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-cyclohexylhexan-2-ol
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(1R)-1-cyclopentylpropan-1-ol;sulfane
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1-cyclobutyl-3-methylhexan-1-ol
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(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
(1S)-1-cyclopentyl-2-trimethylsilylethanol;sulfane
CID 159518116
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
zinc;azanide;1,3-dicyclohexylpropane-1,3-diol;4-methylpiperidin-1-ide;dihydrate
CID 5252570

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-1-cyclopentylbutane-1,3-diol?
The IUPAC name of (1S,3R)-1-cyclopentylbutane-1,3-diol (CID 130757763) is (1S,3R)-1-cyclopentylbutane-1,3-diol.
What is the SMILES notation for (1S,3R)-1-cyclopentylbutane-1,3-diol?
The canonical SMILES for (1S,3R)-1-cyclopentylbutane-1,3-diol is C[C@@H](O)C[C@H](O)C1CCCC1.
What is the InChIKey of (1S,3R)-1-cyclopentylbutane-1,3-diol?
The InChIKey is DLOJUWMSCWTFFJ-APPZFPTMSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(10)6-9(11)8-4-2-3-5-8/h7-11H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (1S,3R)-1-cyclopentylbutane-1,3-diol?
(1S,3R)-1-cyclopentylbutane-1,3-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-1-cyclopentylbutane-1,3-diol is sourced from PubChem (CID 130757763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).