trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol

C9H16O2 — CID 175100984

IUPACtrans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol
SMILESC=CCC1(C)[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeySROMGZRFQWPRAG-YUMQZZPRSA-N
MW156.22 g/mol
LogP1.08
Rot. Bonds2

About trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol

trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol (PubChem CID 175100984) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol
PubChem CID175100984
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nametrans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol
SMILESC=CCC1(C)[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeySROMGZRFQWPRAG-YUMQZZPRSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The IUPAC name of trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol (CID 175100984) is trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol.
What is the SMILES notation for trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The canonical SMILES for trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol is C=CCC1(C)[C@@H](O)CC[C@@H]1O.
What is the InChIKey of trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
The InChIKey is SROMGZRFQWPRAG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-6-9(2)7(10)4-5-8(9)11/h3,7-8,10-11H,1,4-6H2,2H3/t7-,8-/m0/s1.
What are the key properties of trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol?
trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-2-methyl-2-prop-2-enylcyclopentane-1,3-diol is sourced from PubChem (CID 175100984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).