trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol

C11H22O — CID 135054569

IUPACtrans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
SMILESCCC[C@@H]1CCC[C@@]1(O)CCC
InChIInChI=1S/C11H22O/c1-3-6-10-7-5-9-11(10,12)8-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyKYAKIPVMGYBCER-MNOVXSKESA-N
MW170.30 g/mol
LogP3.12
Rot. Bonds4

About trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol

trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol (PubChem CID 135054569) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
PubChem CID135054569
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nametrans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
SMILESCCC[C@@H]1CCC[C@@]1(O)CCC
InChIInChI=1S/C11H22O/c1-3-6-10-7-5-9-11(10,12)8-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyKYAKIPVMGYBCER-MNOVXSKESA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol (CID 135054569) is trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol is CCC[C@@H]1CCC[C@@]1(O)CCC.
What is the InChIKey of trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol?
The InChIKey is KYAKIPVMGYBCER-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22O/c1-3-6-10-7-5-9-11(10,12)8-4-2/h10,12H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol?
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol is sourced from PubChem (CID 135054569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).