(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane

C15H22 — CID 102279323

IUPAC(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCC1(C)[C@H]2CCC(C2)[C@@]1(C)C1=CC=CC1
InChIInChI=1S/C15H22/c1-14(2)12-8-9-13(10-12)15(14,3)11-6-4-5-7-11/h4-6,12-13H,7-10H2,1-3H3/t12-,13?,15+/m0/s1
InChIKeyWZVVUKPQUPLYBF-RMTCENKZSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds1

About (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane

(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 102279323) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane
PubChem CID102279323
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane
SMILESCC1(C)[C@H]2CCC(C2)[C@@]1(C)C1=CC=CC1
InChIInChI=1S/C15H22/c1-14(2)12-8-9-13(10-12)15(14,3)11-6-4-5-7-11/h4-6,12-13H,7-10H2,1-3H3/t12-,13?,15+/m0/s1
InChIKeyWZVVUKPQUPLYBF-RMTCENKZSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane (CID 102279323) is (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane is CC1(C)[C@H]2CCC(C2)[C@@]1(C)C1=CC=CC1.
What is the InChIKey of (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is WZVVUKPQUPLYBF-RMTCENKZSA-N. The full InChI is InChI=1S/C15H22/c1-14(2)12-8-9-13(10-12)15(14,3)11-6-4-5-7-11/h4-6,12-13H,7-10H2,1-3H3/t12-,13?,15+/m0/s1.
What are the key properties of (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane?
(2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 202.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-cyclopenta-1,3-dien-1-yl-2,3,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 102279323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).