2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol

C10H18O2 — CID 130130646

IUPAC2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)C1CCC(C)(CO)C1O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyAFUGCPHRLSDMGF-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol

2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol (PubChem CID 130130646) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
PubChem CID130130646
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol
SMILESC=C(C)C1CCC(C)(CO)C1O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h8-9,11-12H,1,4-6H2,2-3H3
InChIKeyAFUGCPHRLSDMGF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol (CID 130130646) is 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol is C=C(C)C1CCC(C)(CO)C1O.
What is the InChIKey of 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
The InChIKey is AFUGCPHRLSDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,6-11)9(8)12/h8-9,11-12H,1,4-6H2,2-3H3.
What are the key properties of 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol?
2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-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 2-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclopentan-1-ol is sourced from PubChem (CID 130130646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).