cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol

C10H18O — CID 102462779

IUPACcis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
SMILESC=C[C@@H]1CCC[C@@]1(O)C(C)C
InChIInChI=1S/C10H18O/c1-4-9-6-5-7-10(9,11)8(2)3/h4,8-9,11H,1,5-7H2,2-3H3/t9-,10-/m1/s1
InChIKeyYVXJSSDLQJNMHB-NXEZZACHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol

cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol (PubChem CID 102462779) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
PubChem CID102462779
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Namecis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol
SMILESC=C[C@@H]1CCC[C@@]1(O)C(C)C
InChIInChI=1S/C10H18O/c1-4-9-6-5-7-10(9,11)8(2)3/h4,8-9,11H,1,5-7H2,2-3H3/t9-,10-/m1/s1
InChIKeyYVXJSSDLQJNMHB-NXEZZACHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol (CID 102462779) is cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol is C=C[C@@H]1CCC[C@@]1(O)C(C)C.
What is the InChIKey of cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol?
The InChIKey is YVXJSSDLQJNMHB-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-4-9-6-5-7-10(9,11)8(2)3/h4,8-9,11H,1,5-7H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol?
cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-ethenyl-1-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 102462779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).