trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol

C9H16O2 — CID 10487118

IUPACtrans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC[C@H]1/C=C/CO
InChIInChI=1S/C9H16O2/c1-9(11)6-2-4-8(9)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3+/t8-,9+/m0/s1
InChIKeyKHYHMPFBKFVNBV-AFRAPRFESA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds2

About trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol

trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol (PubChem CID 10487118) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol
PubChem CID10487118
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Nametrans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC[C@H]1/C=C/CO
InChIInChI=1S/C9H16O2/c1-9(11)6-2-4-8(9)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3+/t8-,9+/m0/s1
InChIKeyKHYHMPFBKFVNBV-AFRAPRFESA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol (CID 10487118) is trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol is C[C@@]1(O)CCC[C@H]1/C=C/CO.
What is the InChIKey of trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol?
The InChIKey is KHYHMPFBKFVNBV-AFRAPRFESA-N. The full InChI is InChI=1S/C9H16O2/c1-9(11)6-2-4-8(9)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3+/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol?
trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 10487118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).