(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol

C10H18O2 — CID 10877559

IUPAC(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol
SMILESCC1=C(CO)[C@@H]([C@H](C)CO)CC1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h8-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyYBNBHWAREBTVKH-RKDXNWHRSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds3

About (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol

(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol (PubChem CID 10877559) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol
PubChem CID10877559
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol
SMILESCC1=C(CO)[C@@H]([C@H](C)CO)CC1
InChIInChI=1S/C10H18O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h8-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyYBNBHWAREBTVKH-RKDXNWHRSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol (CID 10877559) is (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol is CC1=C(CO)[C@@H]([C@H](C)CO)CC1.
What is the InChIKey of (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol?
The InChIKey is YBNBHWAREBTVKH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h8-9,11-12H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol?
(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 10877559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).