trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol

C8H14O — CID 101270145

IUPACtrans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol
SMILESC=C[C@]1(C)CCC[C@H]1O
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7(8)9/h3,7,9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeySZJLIICYFNDMOL-HTQZYQBOSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds1

About trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol

trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol (PubChem CID 101270145) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol
PubChem CID101270145
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nametrans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol
SMILESC=C[C@]1(C)CCC[C@H]1O
InChIInChI=1S/C8H14O/c1-3-8(2)6-4-5-7(8)9/h3,7,9H,1,4-6H2,2H3/t7-,8-/m1/s1
InChIKeySZJLIICYFNDMOL-HTQZYQBOSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethenylcyclopentan-1-ol
CID 12910249
rac-(1R,2S)-2-ethenylcyclopentan-1-ol
CID 12910248
5,5-Dimethylhept-6-ene-1,4-diol
CID 85973362
trans-(1R,2R)-2-ethenylcyclopentan-1-ol
CID 101709984
cis-(1S,2R)-2-ethenylcyclopentan-1-ol
CID 10240787
trans-(1S,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617442
cis-(1R,2R)-2-methyl-2-prop-2-enylcyclopentan-1-ol
CID 14617443
4-Ethenyl-4-methyloctan-3-ol
CID 14742508
2,2-Dimethyl-4-methylidenecyclopentan-1-ol
CID 14972929
3-Ethenyl-3-propylhex-5-en-2-ol
CID 20501675
2-Ethenyl-2-prop-2-enylcyclopentan-1-ol
CID 20501764
CID 59248117
CID 59248117

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol (CID 101270145) is trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol is C=C[C@]1(C)CCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol?
The InChIKey is SZJLIICYFNDMOL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14O/c1-3-8(2)6-4-5-7(8)9/h3,7,9H,1,4-6H2,2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol?
trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-ethenyl-2-methylcyclopentan-1-ol is sourced from PubChem (CID 101270145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).