(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol

C10H18O2 — CID 10702297

IUPAC(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol
SMILESCC(C)[C@@]1(O)C(CO)=CC[C@@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)10(12)8(3)4-5-9(10)6-11/h5,7-8,11-12H,4,6H2,1-3H3/t8-,10-/m0/s1
InChIKeyGGTGWQALOXXGPP-WPRPVWTQSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol

(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol (PubChem CID 10702297) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol
PubChem CID10702297
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol
SMILESCC(C)[C@@]1(O)C(CO)=CC[C@@H]1C
InChIInChI=1S/C10H18O2/c1-7(2)10(12)8(3)4-5-9(10)6-11/h5,7-8,11-12H,4,6H2,1-3H3/t8-,10-/m0/s1
InChIKeyGGTGWQALOXXGPP-WPRPVWTQSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

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CID 21263747
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(4R,5S)-3,4-bis(hydroxymethyl)-4,5-dimethylcyclohex-2-en-1-ol
CID 130905899
1-iodo-4,5,5-trimethylcyclopentene
CID 134856113
2-methyl-1-(4-propan-2-ylphenyl)cyclopropan-1-ol
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(1R,3S,4R)-1,4-dimethyl-3-propan-2-ylcyclopentane-1,3-diol
CID 10583336
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 519721
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
4-ethyl-3-hydroxy-3-propan-2-yloxolane-2,5-dione
CID 142762030
[1-(4-methoxy-3-propan-2-ylphenyl)-2-methylcyclopropyl]methanol
CID 116842467
4-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-ol
CID 54186290
(3S)-3-[(3aS,4R,7aS)-4,7a-dimethyl-3,3a,4,5,6,7-hexahydroinden-1-yl]butan-1-ol
CID 118545539

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol?
The IUPAC name of (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol (CID 10702297) is (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol?
The canonical SMILES for (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol is CC(C)[C@@]1(O)C(CO)=CC[C@@H]1C.
What is the InChIKey of (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol?
The InChIKey is GGTGWQALOXXGPP-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)10(12)8(3)4-5-9(10)6-11/h5,7-8,11-12H,4,6H2,1-3H3/t8-,10-/m0/s1.
What are the key properties of (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol?
(1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-(hydroxymethyl)-5-methyl-1-propan-2-ylcyclopent-2-en-1-ol is sourced from PubChem (CID 10702297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).