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

C6H12O — CID 6432271

IUPACtrans-(1S,2S)-2-methylcyclopentan-1-ol
SMILESC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyBVIJQMCYYASIFP-WDSKDSINSA-N
MW100.16 g/mol
LogP1.17
Rot. Bonds

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

trans-(1S,2S)-2-methylcyclopentan-1-ol (PubChem CID 6432271) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is trans-(1S,2S)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methylcyclopentan-1-ol
PubChem CID6432271
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Nametrans-(1S,2S)-2-methylcyclopentan-1-ol
SMILESC[C@H]1CCC[C@@H]1O
InChIInChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyBVIJQMCYYASIFP-WDSKDSINSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-methylcyclopentan-1-ol (CID 6432271) is trans-(1S,2S)-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-methylcyclopentan-1-ol is C[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-methylcyclopentan-1-ol?
The InChIKey is BVIJQMCYYASIFP-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methylcyclopentan-1-ol?
trans-(1S,2S)-2-methylcyclopentan-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 6432271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).