(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate

C18H26O3 — CID 70395765

IUPAC(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate
SMILESCC(C)(C)C(O)OC(=O)C(=CC1=CCCC1)C1=CCCC1
InChIInChI=1S/C18H26O3/c1-18(2,3)17(20)21-16(19)15(14-10-6-7-11-14)12-13-8-4-5-9-13/h8,10,12,17,20H,4-7,9,11H2,1-3H3
InChIKeyYFGHYODTSMZEJO-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.04
Rot. Bonds4

About (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate

(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate (PubChem CID 70395765) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Name(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate
PubChem CID70395765
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate
SMILESCC(C)(C)C(O)OC(=O)C(=CC1=CCCC1)C1=CCCC1
InChIInChI=1S/C18H26O3/c1-18(2,3)17(20)21-16(19)15(14-10-6-7-11-14)12-13-8-4-5-9-13/h8,10,12,17,20H,4-7,9,11H2,1-3H3
InChIKeyYFGHYODTSMZEJO-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate?
The IUPAC name of (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate (CID 70395765) is (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate is CC(C)(C)C(O)OC(=O)C(=CC1=CCCC1)C1=CCCC1.
What is the InChIKey of (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate?
The InChIKey is YFGHYODTSMZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-18(2,3)17(20)21-16(19)15(14-10-6-7-11-14)12-13-8-4-5-9-13/h8,10,12,17,20H,4-7,9,11H2,1-3H3.
What are the key properties of (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate?
(1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate has a molecular weight of 290.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2-dimethylpropyl) 2,3-di(cyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 70395765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).