2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol

C18H24O3 — CID 68551389

IUPAC2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol
SMILESCC1=C(C)C(O)(c2ccccc2C2(C)OCCO2)CC1C
InChIInChI=1S/C18H24O3/c1-12-11-18(19,14(3)13(12)2)16-8-6-5-7-15(16)17(4)20-9-10-21-17/h5-8,12,19H,9-11H2,1-4H3
InChIKeyLIRYTHQCZTVRLC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.47
Rot. Bonds2

About 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol

2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol (PubChem CID 68551389) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol
PubChem CID68551389
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol
SMILESCC1=C(C)C(O)(c2ccccc2C2(C)OCCO2)CC1C
InChIInChI=1S/C18H24O3/c1-12-11-18(19,14(3)13(12)2)16-8-6-5-7-15(16)17(4)20-9-10-21-17/h5-8,12,19H,9-11H2,1-4H3
InChIKeyLIRYTHQCZTVRLC-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol?
The IUPAC name of 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol (CID 68551389) is 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol?
The canonical SMILES for 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol is CC1=C(C)C(O)(c2ccccc2C2(C)OCCO2)CC1C.
What is the InChIKey of 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol?
The InChIKey is LIRYTHQCZTVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-12-11-18(19,14(3)13(12)2)16-8-6-5-7-15(16)17(4)20-9-10-21-17/h5-8,12,19H,9-11H2,1-4H3.
What are the key properties of 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol?
2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol has a molecular weight of 288.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 68551389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).