2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol

C10H18O — CID 23623698

IUPAC2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol
SMILESCC1=CC[C@H](CCO)C1(C)C
InChIInChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
InChIKeyNPGPPCSBEMHHCR-SECBINFHSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol

2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol (PubChem CID 23623698) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol
PubChem CID23623698
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol
SMILESCC1=CC[C@H](CCO)C1(C)C
InChIInChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
InChIKeyNPGPPCSBEMHHCR-SECBINFHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol (CID 23623698) is 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol is CC1=CC[C@H](CCO)C1(C)C.
What is the InChIKey of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol?
The InChIKey is NPGPPCSBEMHHCR-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol?
2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 23623698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).