trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol

C11H18O — CID 15642870

IUPACtrans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol
SMILESCCCCC#C[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-4,6,8-9H2,1H3/t10-,11+/m0/s1
InChIKeyWOURSHUFNQSKLP-WDEREUQCSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds2

About trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol

trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol (PubChem CID 15642870) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol
PubChem CID15642870
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nametrans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol
SMILESCCCCC#C[C@H]1CCC[C@H]1O
InChIInChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-4,6,8-9H2,1H3/t10-,11+/m0/s1
InChIKeyWOURSHUFNQSKLP-WDEREUQCSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol (CID 15642870) is trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol is CCCCC#C[C@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol?
The InChIKey is WOURSHUFNQSKLP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h10-12H,2-4,6,8-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol?
trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-hex-1-ynylcyclopentan-1-ol is sourced from PubChem (CID 15642870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).