trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol

C8H12O — CID 12791810

IUPACtrans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
SMILESC#CC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h1,7-9H,3-6H2/t7-,8+/m1/s1
InChIKeyPWRQANNOJCCIKZ-SFYZADRCSA-N
MW124.18 g/mol
LogP1.17
Rot. Bonds1

About trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol

trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol (PubChem CID 12791810) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
PubChem CID12791810
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Nametrans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
SMILESC#CC[C@@H]1CCC[C@@H]1O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h1,7-9H,3-6H2/t7-,8+/m1/s1
InChIKeyPWRQANNOJCCIKZ-SFYZADRCSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol (CID 12791810) is trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol is C#CC[C@@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol?
The InChIKey is PWRQANNOJCCIKZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h1,7-9H,3-6H2/t7-,8+/m1/s1.
What are the key properties of trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol?
trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol is sourced from PubChem (CID 12791810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).