ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene

C17H26O2 — CID 162435875

IUPACethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
SMILESC=C.C=Cc1ccccc1.OCC1CCCC1CO
InChIInChI=1S/C8H8.C7H14O2.C2H4/c1-2-8-6-4-3-5-7-8;8-4-6-2-1-3-7(6)5-9;1-2/h2-7H,1H2;6-9H,1-5H2;1-2H2
InChIKeyKGRHNVMZFGKZTL-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.52
Rot. Bonds3

About ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene

ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene (PubChem CID 162435875) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene.

Molecular Properties

Compound Nameethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
PubChem CID162435875
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
SMILESC=C.C=Cc1ccccc1.OCC1CCCC1CO
InChIInChI=1S/C8H8.C7H14O2.C2H4/c1-2-8-6-4-3-5-7-8;8-4-6-2-1-3-7(6)5-9;1-2/h2-7H,1H2;6-9H,1-5H2;1-2H2
InChIKeyKGRHNVMZFGKZTL-UHFFFAOYSA-N
XLogP3.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.52
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 ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene?
The IUPAC name of ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene (CID 162435875) is ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene.
What is the SMILES notation for ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene?
The canonical SMILES for ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene is C=C.C=Cc1ccccc1.OCC1CCCC1CO.
What is the InChIKey of ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene?
The InChIKey is KGRHNVMZFGKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H14O2.C2H4/c1-2-8-6-4-3-5-7-8;8-4-6-2-1-3-7(6)5-9;1-2/h2-7H,1H2;6-9H,1-5H2;1-2H2.
What are the key properties of ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene?
ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene has a molecular weight of 262.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene is sourced from PubChem (CID 162435875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).