trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol

C7H14O2 — CID 122468641

IUPACtrans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CO)CC1O
InChIInChI=1S/C7H14O2/c1-5-2-6(4-8)3-7(5)9/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1
InChIKeyJXXMBGACUPJFOX-CQMSUOBXSA-N
MW130.19 g/mol
LogP0.39
Rot. Bonds1

About trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol

trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol (PubChem CID 122468641) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
PubChem CID122468641
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nametrans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol
SMILESC[C@@H]1C[C@@H](CO)CC1O
InChIInChI=1S/C7H14O2/c1-5-2-6(4-8)3-7(5)9/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1
InChIKeyJXXMBGACUPJFOX-CQMSUOBXSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol (CID 122468641) is trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol is C[C@@H]1C[C@@H](CO)CC1O.
What is the InChIKey of trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol?
The InChIKey is JXXMBGACUPJFOX-CQMSUOBXSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-2-6(4-8)3-7(5)9/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1.
What are the key properties of trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol?
trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol has a molecular weight of 130.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-4-(hydroxymethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 122468641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).